Saturated Oxygenates Exploration

Compounds Ordered by Br, C, Cl, F, H, N, O

Formula : HCHO
Name : Formaldehyde
CAS : 50-00-0
Smiles :C=O
InChI=1S/CH2O/c1-2/h1H2
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : HC(O)OH
Name : Formic acid
CAS : 64-18-6
Smiles :C(O)O
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2
Cl reactions
OH reactions

Formula : CH3OH
Name : Methanol
CAS : 67-56-1
Smiles :OC
InChI=1S/CH4O/c1-2/h2H,1H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : CH3OOH
Name : Methyl hydroperoxide
CAS : 3031-73-0
Smiles :COO
InChI=1S/CH4O2/c1-3-2/h2H,1H3
Cl reactions
OH reactions

Formula : HC(O)F
Name : Formyl fluoride
CAS : 1493-02-3
Smiles :FC(H)=O
InChI=1S/CHFO/c2-1-3/h1H
OH reactions

Formula : (CHO)2
Name : glyoxal
CAS : 107-22-2
Smiles :O=CC=O
InChI=1S/C2H2O2/c3-1-2-4/h1-2H
OH reactions

Formula : CH3CHO
Name : Acetaldehyde
CAS : 75-07-0
Smiles :O=CC
InChI=1S/C2H4O/c1-2-3/h2H,1H3
Br reactions
Cl reactions
NO3 reactions
O3 reactions
OH reactions

Formula : CH3C(O)OH
Name : Acetic acid
CAS : 64-19-7
Smiles :CC(=O)O
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
Cl reactions
OH reactions

Formula : HOCH2CHO
Name : Glycolaldehyde
CAS : 141-46-8
Smiles :OCC=O
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
OH reactions

Formula : HC(O)OCH3
Name : Methyl formate
CAS : 107-31-3
Smiles :O=COC
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3C(O)OOH
Name : Peracetic acid
CAS : 79-21-0
Smiles :CC(=O)OO
InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
Cl reactions

Formula : CH3OCH3
Name : Dimethyl ether
CAS : 115-10-6
Smiles :O(C)C
InChI=1S/C2H6O/c1-3-2/h1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH2OH
Name : Ethanol
CAS : 64-17-5
Smiles :OCC
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : HOCH2CH2OH
Name : 1,2-Ethanediol
CAS : 107-21-1
Smiles :OCCO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
OH reactions

Formula : C2H5OOH
Name : Ethyl hydroperoxide
CAS : 3031-74-1
Smiles :CCOO
InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3
Cl reactions
O3 reactions
OH reactions

Representation of Methoxy methylhydroperoxide

Formula : CH3OCH2OOH
Name : Methoxy methylhydroperoxide
CAS :
Smiles :
Cl reactions

Formula : (CH3)2NNO
Name : Nitrosodimethylamine
CAS : 62-75-9
Smiles :O=NN(C)C
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
O3 reactions
OH reactions

Formula : (CH3)2NNO2
Name : Dimethylnitramine
CAS : 4164-28-7
Smiles :[O-][N+](=O)N(C)C
InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3
O3 reactions
OH reactions

Representation of 2,2,2-Trifluoroacetic acid

Formula : CF3C(O)OH
Name : 2,2,2-Trifluoroacetic acid
CAS : 76-05-1
Smiles :FC(F)(F)C(O)=O
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
Cl reactions
OH reactions

Representation of 1,1,1,2-tetrafluoroethane

Formula : CHF2OCHF2
Name : 1,1,1,2-tetrafluoroethane
CAS :
Smiles :C(OC(F)(F)[H])(F)(F)[H]
InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H
Cl reactions
OH reactions

Formula : ClC(O)OCH3
Name : Methyl chloroformate
CAS : 79-22-1
Smiles :O=C(Cl)OC
InChI=InChI=1/C2H3ClO2/c1-5-2(3)4/h1H3
OH reactions

Formula : CH3OCH2Cl
Name : Chlorodimethyl ether
CAS : 107-30-2
Smiles :COC(Cl)
InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
Cl reactions

Formula : CH3C(O)CHO
Name : Methylglyogal
CAS : 78-98-8
Smiles :CC(=O)C(=O)
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
OH reactions

Representation of Acetic formic anhydride

Formula : CH3C(O)OC(O)H
Name : Acetic formic anhydride
CAS : 2258-42-6
Smiles :CC(=O)OC=O
InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3
Cl reactions

Formula : CH3C(O)C(O)OH
Name : Pyruvic acid
CAS : 127-17-3
Smiles :CC(=O)C(=O)O
InChI=InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
OH reactions

Representation of Peroxypropionyl Nitrate

Formula : C2H5C(O)O2NO2
Name : Peroxypropionyl Nitrate
CAS : 5796-89-4
Smiles :CCC(O)O[N+](=O)[O-]
InChI=1S/C3H7NO4/c1-2-3(5)8-4(6)7/h3,5H,2H2,1H3
Cl reactions

Formula : CH3C(O)CH3
Name : Acetone
CAS : 67-64-1
Smiles :O=C(C)C
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH2CHO
Name : Propanal
CAS : 123-38-6
Smiles :O=CCC
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : C3H6O2
Name : 1,3-Dioxolane
CAS : 646-06-0
Smiles :O(CCO1)C1
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
Cl reactions
OH reactions

Formula : CH3CH(OH)CHO
Name : 2-Hydroxypropanal
CAS : 598-35-6
Smiles :CC(O)C=O
InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
OH reactions

Formula : HOCH2CH2CHO
Name : 3-Hydroxypropanal
CAS : ***
Smiles :C(O)CC=O
InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2
OH reactions

Formula : HC(O)OC2H5
Name : Ethyl formate
CAS : 109-94-4
Smiles :O=COCC
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3C(O)CH2OH
Name : Hydroxyacetone
CAS : 116-09-6
Smiles :CC(=O)CO
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
Cl reactions
OH reactions

Formula : CH3C(O)OCH3
Name : Methyl acetate
CAS : 79-20-9
Smiles :O=C(OC)C
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH2C(O)OH
Name : Propionic acid
CAS : 79-09-4
Smiles :CCC(=O)O
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Cl reactions
OH reactions

Formula : C3H6O3
Name : 1,3,5-Trioxane
CAS : 110-88-3
Smiles :C1OCOCO1
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
Cl reactions
OH reactions

Formula : HC(O)OCH2OCH3
Name : Methoxymethyl formate
CAS : 4382-75-6
Smiles :O=COCOC
InChI=1S/C3H6O3/c1-5-3-6-2-4/h2H,3H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH2OH
Name : 1-Propanol
CAS : 71-23-8
Smiles :OCCC
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : (CH3)2CHOH
Name : 2-Propanol
CAS : 67-63-0
Smiles :OC(C)C
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : CH3OC2H5
Name : Methyl ethyl ether
CAS : 540-67-0
Smiles :CCOC
InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : HOCH2CH(OH)CH3
Name : 1,2-Propanediol
CAS : 57-55-6
Smiles :OCC(O)C
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
OH reactions

Formula : CH3OCH2CH2OH
Name : 2-Methoxyethanol
CAS : 109-86-4
Smiles :COCCO
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
OH reactions

Formula : CH3OCH2OCH3
Name : Dimethoxy methane
CAS : 109-87-5
Smiles :COCOC
InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3
Cl reactions
OH reactions

Representation of 3,3,3-trifluoropropanal

Formula : CF3CH2CHO
Name : 3,3,3-trifluoropropanal
CAS : 460-40-2
Smiles :FC(F)(F)CCC=O
InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2
Cl reactions
OH reactions

Representation of 1,1,1 trifluoro-2-propanol

Formula : CF3CH(OH)CH3
Name : 1,1,1 trifluoro-2-propanol
CAS : 17556-48-8
Smiles :CC(C(F)(F)F)O
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
Cl reactions

Representation of 2,2,3,3-tetrafluoro-propanol

Formula : CHF2CF2CH2OH
Name : 2,2,3,3-tetrafluoro-propanol
CAS :
Smiles :
Cl reactions

Representation of Pentafluoropropionic acid

Formula : CF3CF2C(O)OH
Name : Pentafluoropropionic acid
CAS :
Smiles :
Cl reactions
OH reactions

Formula : C4H6O
Name : Cyclobutanone
CAS : 1191-95-3
Smiles :[-CC(=O)CC-]
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2
OH reactions

Formula : CH3C(O)C(O)CH3
Name : 2,3-butadione
CAS : 431-03-8
Smiles :CC(=O)C(=O)C
InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Cl reactions
OH reactions

Formula : CH3C(O)C(O)OCH3
Name : Methyl pyruvate
CAS : 600-22-6
Smiles :CC(=O)C(=O)OC
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
Cl reactions

Representation of Propionic formic anhydride

Formula : CH3CH2C(O)OC(O)H
Name : Propionic formic anhydride
CAS :
Smiles :C(=O)OC(=O)CC
InChI=InChI=1S/C4H6O3/c1-2-4(6)7-3-5/h3H,2H2,1H3
Cl reactions

Formula : CH3C(O)CH2CH3
Name : 2-Butanone
CAS : 78-93-3
Smiles :O=C(CC)C
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)2CHCHO
Name : 2-Methylpropanal
CAS : 78-84-2
Smiles :O=CC(C)C
InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH2CH2CHO
Name : Butanal
CAS : 123-72-8
Smiles :O=CCCC
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : C4H8O
Name : Tetrahydrofuran
CAS : 109-99-9
Smiles :O(CCC1)C1
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
Br reactions
Cl reactions
OH reactions

Formula : C4H8O2
Name : 1,3-Dioxane
CAS : 505-22-6
Smiles :O1COCCC1
InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
OH reactions

Formula : C4H8O2
Name : 1,4-Dioxane
CAS : 123-91-1
Smiles :O(CCOC1)C1
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
Cl reactions
OH reactions

Formula : CH3CH2C(O)CH2OH
Name : 1-Hydroxy-2-butanone
CAS : 5077-67-8
Smiles :O=C(CO)CC
InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
OH reactions

Formula : CH3C(O)CH2CH2OH
Name : 1-Hydroxy-3-butanone
CAS : 590-90-9
Smiles :O=C(CCO)C
InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
OH reactions

Representation of 2-Hydroxy-2-methylpropanal

Formula : (CH3)2C(OH)CHO
Name : 2-Hydroxy-2-methylpropanal
CAS : ***
Smiles :CC(C)(O)C=O
InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3
OH reactions

Formula : CH3CH2CH(OH)CHO
Name : 2-Hydroxybutanal
CAS : ***
Smiles :CC(O)CC=O
InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3
OH reactions

Formula : CH3C(O)CH(OH)CH3
Name : 3-Hydroxy-2-butanone
CAS : 513-86-0
Smiles :O=C(C(O)C)C
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
OH reactions

Formula : CH3CH(OH)CH2CHO
Name : 3-Hydroxybutanal
CAS : 107-89-1
Smiles :CCC(O)C=O
InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3
OH reactions

Formula : CH3C(O)OC2H5
Name : Ethyl acetate
CAS : 141-78-6
Smiles :O=C(OCC)C
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : HC(O)OCH(CH3)2
Name : iso-propyl formate
CAS : 625-55-8
Smiles :CC(C)OC=O
InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
Cl reactions
OH reactions

Formula : (CH3)2CHC(O)OH
Name : isobutiric acid
CAS : 79-31-2
Smiles :CC(C)C(=O)O
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
OH reactions

Formula : C2H5C(O)OCH3
Name : Methyl propionate
CAS : 554-12-1
Smiles :CCC(=O)OC
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : HC(O)OC3H7
Name : n-Propyl formate
CAS : 110-74-7
Smiles :O=COCCC
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : HC(O)OCH2OCH2CH3
Name : Ethoxymethyl formate
CAS :
Smiles :
OH reactions

Formula : HC(O)OCH2CH2OCH3
Name : Methoxyethyl formate
CAS :
Smiles :
OH reactions

Formula : CH3C(O)OCH2OCH3
Name : Methoxymethyl acetate
CAS : 4382-76-7
Smiles :O=C(OCOC)C
InChI=1S/C4H8O3/c1-4(5)7-3-6-2/h3H2,1-2H3
OH reactions

Formula : C4H9NO
Name : terahydro-1,4-oxazine
CAS :
Smiles :C1COCCN1
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
OH reactions

Formula : CH3CH2CH2CH2OH
Name : 1-Butanol
CAS : 71-36-3
Smiles :OCCCC
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH(OH)CH2CH3
Name : 2-Butanol
CAS : 78-92-2
Smiles :OC(CC)C
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : (CH3)2CHCH2OH
Name : 2-Methyl-1-propanol
CAS : 78-83-1
Smiles :OCC(C)C
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)3COH
Name : 2-Methyl-2-propanol
CAS : 75-65-0
Smiles :OC(C)(C)C
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
Br reactions
Cl reactions
OH reactions

Formula : C2H5OC2H5
Name : Diethyl ether
CAS : 60-29-7
Smiles :O(CC)CC
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : HOCH2CH2CH(OH)CH3
Name : 1,-3-Butanediol
CAS : 107-88-0
Smiles :C(O)CC(O)C
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
OH reactions

Formula : CH3CH(OCH3)2
Name : 1,1-Dimethoxyethane
CAS : 534-15-6
Smiles :O(C(OC)C)C
InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
OH reactions

Formula : HOCH2CH(OH)CH2CH3
Name : 1,2-Butanediol
CAS : 584-03-2
Smiles :OCC(O)CC
InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
OH reactions

Formula : CH3OCH2CH(OH)CH3
Name : 1-Methoxy-2-propanol
CAS : 107-98-2
Smiles :O(CC(O)C)C
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
NO3 reactions
O3 reactions
OH reactions

Formula : CH3CH(OH)CH(OH)CH3
Name : 2,3-Butanediol
CAS : 513-85-9
Smiles :CC(O)C(O)C
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
OH reactions

Formula : CH3CH2OCH2CH2OH
Name : 2-Ethoxyethanol
CAS : 110-80-5
Smiles :CCOCCO
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
NO3 reactions
O3 reactions
OH reactions

Formula : CH3OCH2CH2OCH3
Name : Dimethoxy ethane
CAS : 110-71-4
Smiles :COCCOC
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
OH reactions

Representation of tert-butyl hydroperoxide

Formula : (CH3)3COOH
Name : tert-butyl hydroperoxide
CAS : 75-91-2
Smiles :CC(C)(C)OO
InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
OH reactions

Formula : (CH3O)3CH
Name : Trimethoxymethane
CAS : 149-73-5
Smiles :O(C(OC)OC)C
InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
Cl reactions
OH reactions

Formula : CF3(CH2)2CH2OH
Name : 4,4,4-Triflurobutanol
CAS : 461-18-7
Smiles :
Cl reactions
OH reactions

Representation of 2,2,2-trifluoroethyl ether

Formula : CF3CH2OCH2CF3
Name : 2,2,2-trifluoroethyl ether
CAS : 333-36-8
Smiles :***
OH reactions

Representation of 2,2,3,4,4,4-pentafluoro-butanol

Formula : CF3CHFCF2CH2OH
Name : 2,2,3,4,4,4-pentafluoro-butanol
CAS :
Smiles :
Cl reactions

Representation of Heptafluorobutanoic acid

Formula : CF3CF2CF2C(O)OH
Name : Heptafluorobutanoic acid
CAS : 375-22-4
Smiles :OC(C(F)(F)C(F)(F)C(F)(F)F)=O
InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
OH reactions

Representation of 2-methyl propanoyl chloride

Formula : (CH3)2CHC(O)Cl
Name : 2-methyl propanoyl chloride
CAS : 79-30-1
Smiles :CC(C)C(Cl)=O
Cl reactions

Formula : C5H8O
Name : Cyclopentanone
CAS : 120-92-3
Smiles :[C(=O)CCCC]
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
Cl reactions
OH reactions

Formula : CH3C(O)C(O)C2H5
Name : 2,3-Pentanedione
CAS : 600-14-6
Smiles :O=C(C(=O)CC)C
InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
Cl reactions

Formula : CH3C(O)CH2C(O)CH3
Name : 2,4-pentanedione
CAS : 123-54-6
Smiles :CC(=O)CC(=O)C
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
O3 reactions
OH reactions

Formula : (CH3)3CCHO
Name : 2,2-Dimethylpropanal
CAS : 630-19-3
Smiles :O=CC(C)(C)C
InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
Br reactions
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH2CH(CH3)CHO
Name : 2-Methylbutanal
CAS : 96-17-3
Smiles :O=CC(CC)C
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
NO3 reactions
OH reactions

Representation of 2-Methyltetrahydrofuran

Formula : C5H10O
Name : 2-Methyltetrahydrofuran
CAS : 96-47-9
Smiles :O(C(CC1)C)C1
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
OH reactions

Formula : CH3C(O)CH2CH2CH3
Name : 2-Pentanone
CAS : 107-87-9
Smiles :O=C(CCC)C
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)2CHC(O)CH3
Name : 3-Methyl-2-butanone
CAS : 563-80-4
Smiles :O=C(C(C)C)C
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
Cl reactions
NO3 reactions
O3 reactions
OH reactions

Formula : (CH3)2CHCH2CHO
Name : 3-Methylbutanal
CAS : 590-86-3
Smiles :O=CCC(C)C
InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
NO3 reactions
OH reactions

Formula : C2H5C(O)C2H5
Name : 3-Pentanone
CAS : 96-22-0
Smiles :O=C(CC)CC
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
Cl reactions
OH reactions

Formula : C5H9OH
Name : Cyclopentanol
CAS : 96-41-3
Smiles :OC(CCC1)C1
InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
OH reactions

Formula : CH3(CH2)3CHO
Name : Pentanal
CAS : 110-62-3
Smiles :O=CCCCC
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : C5H10O
Name : Tetrahydropyran
CAS : 142-68-7
Smiles :O(CCCC1)C1
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
Br reactions
Cl reactions
OH reactions

Formula : C5H10O2
Name : 1,3-Dioxepane
CAS : ***
Smiles :C1CCOCOC1
InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
OH reactions

Representation of 1-Hydroxy-2-methyl-3-butanone

Formula : HOCH2CH(CH3)C(O)CH3
Name : 1-Hydroxy-2-methyl-3-butanone
CAS : ***
Smiles :OCC(C)C(=O)C
InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
OH reactions

Representation of 3-Hydroxy-3-methyl-2-butanone

Formula : (CH3)2C(OH)C(O)CH3
Name : 3-Hydroxy-3-methyl-2-butanone
CAS : 115-22-0
Smiles :O=C(C(O)(C)C)C
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
OH reactions

Formula : C5H10O2
Name : 4-Methyl-1,3-dioxane
CAS : 1120-97-4
Smiles :O1COC(C)CC1
InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3
OH reactions

Formula : C2H5C(O)OCH2CH3
Name : Ethyl propionate
CAS : 105-37-3
Smiles :O=C(OCC)CC
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
NO3 reactions
OH reactions

Formula : CH3C(O)OCH(CH3)2
Name : Isopropyl Acetate
CAS : 108-21-4
Smiles :O=C(OC(C)C)C
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
Cl reactions
OH reactions

Formula : C3H7C(O)OCH3
Name : Methyl butyrate
CAS : 623-42-7
Smiles :CCCC(=O)OC
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : (CH3)2CHC(O)OCH3
Name : Methyl isobutyrate
CAS : 547-63-7
Smiles :O=C(OC)C(C)C
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
OH reactions

Formula : HC(O)OC4H9
Name : n-Butyl formate
CAS : 592-84-7
Smiles :O=COCCCC
InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3C(O)OCH2CH2CH3
Name : n-Propyl acetate
CAS : 109-60-4
Smiles :O=C(OCCC)C
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : HC(O)OC(CH3)3
Name : tert-Butyl Formate
CAS : 762-75-4
Smiles :O=COC(C)(C)C
InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
Cl reactions
OH reactions

Formula : HC(O)OCH2CH2OC2H5
Name : Ethoxyethyl formate
CAS :
Smiles :
OH reactions

Formula : CH3C(O)OCH2OC2H5
Name : Ethoxymethyl acetate
CAS :
Smiles :
OH reactions

Formula : CH3C(O)OCH2CH2OCH3
Name : Methoxyethyl acetate
CAS :
Smiles :
OH reactions

Formula : CH3CH2CH2CH2CH2OH
Name : 1-Pentanol
CAS : 71-41-0
Smiles :OCCCCC
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
Cl reactions
OH reactions

Representation of 2,2-Dimethyl-1-propanol

Formula : (CH3)3CCH2OH
Name : 2,2-Dimethyl-1-propanol
CAS : 75-84-3
Smiles :C(C(C)(C)C)O[H]
InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
OH reactions

Formula : (CH3)2C(OH)CH2CH3
Name : 2-Methyl-2-butanol
CAS : 75-85-4
Smiles :OC(CC)(C)C
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
Cl reactions
OH reactions

Formula : CH3CH(OH)CH2CH2CH3
Name : 2-Pentanol
CAS : 6032-29-7
Smiles :OC(CCC)C
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)2CHCH2CH2OH
Name : 3-Methyl-1-butanol
CAS : 123-51-3
Smiles :(C)(C)CCCO
InChI=1S/C3H8O.2CH4/c1-2-3-4;;/h4H,2-3H2,1H3;2*1H4
Cl reactions
OH reactions

Formula : CH3CH(OH)CH(CH3)2
Name : 3-Methyl-2-butanol
CAS : 598-75-4
Smiles :OC(C(C)C)C
InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
Cl reactions
OH reactions

Formula : CH3CH2CH(OH)CH2CH3
Name : 3-Pentanol
CAS : 584-02-1
Smiles :OC(CC)CC
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
Cl reactions
OH reactions

Formula : C4H9OCH3
Name : Methyl n-butyl ether
CAS : 628-28-4
Smiles :O(C)CCCC
InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
OH reactions

Representation of Methyl tert-butyl ether

Formula : CH3OC(CH3)3
Name : Methyl tert-butyl ether
CAS : 1634-04-4
Smiles :O(C(C)(C)C)C
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3CH(OCH3)CH2OCH3
Name : 1,2-Dimethoxypropane
CAS : 7778-85-0
Smiles :COCC(OC)C
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
OH reactions

Formula : (CH3)2C(OCH3)2
Name : 2,2-Dimethoxypropane
CAS : 77-76-9
Smiles :O(C(OC)(C)C)C
InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
OH reactions

Formula : (CH3)2CHOCH2CH2OH
Name : 2-Isopropoxyethanol
CAS : 109-59-1
Smiles :O(C(C)C)CCO
InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
OH reactions

Formula : CH3CH2CH2OCH2CH2OH
Name : 2-propoxyethanol
CAS : 2807-30-9
Smiles :CCCOCCO
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
OH reactions

Formula : C2H5O(CH2)3OH
Name : 3-Ethoxy-1-propanol
CAS : 111-35-3
Smiles :CCOCCCO
InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
OH reactions

Formula : CH3CH(OCH3)CH2CH2OH
Name : 3-Methoxy-1-butanol
CAS : 2517-43-3
Smiles :O(C(CCO)C)C
InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
OH reactions

Formula : CH3CH2OCH2OCH2CH3
Name : Diethoxy methane
CAS : 462-95-3
Smiles :CCOCOCC
InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
OH reactions

Formula : C5H12O2
Name : Dimethoxypropane
CAS : ***
Smiles :COCCCOC
InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
OH reactions

Representation of 2,2,3,3,4,4,5,5,5-Nonafluoropentaldehyde

Formula : CF3CF2CF2CF2CHO
Name : 2,2,3,3,4,4,5,5,5-Nonafluoropentaldehyde
CAS : ***
Smiles :(F)(F)CF(F)CF(F)CF(F)CFC(=O)
InChI=1S/C5H10F7O.2FH/c1-10(6)4-12(8)5-11(7)2-9-3-13;;/h3H,2,4-5H2,1H3;2*1H
Cl reactions
OH reactions

Representation of 2,2,3,3,3,4,4,5,5,5-nonafluoropentanoic acid

Formula : CF3CF2CF2CF2C(O)OH
Name : 2,2,3,3,3,4,4,5,5,5-nonafluoropentanoic acid
CAS : 2706-90-3
Smiles :FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)F
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
OH reactions

Representation of trimethyl acetyl chloride

Formula : (CH3)3CC(O)Cl
Name : trimethyl acetyl chloride
CAS : 3282-30-2
Smiles :CC(C)(C)C(Cl)=O
Cl reactions

Formula : CH2=CHCH2CH2C(O)CH3
Name : 5-Hexen-2-one
CAS : 109-49-9
Smiles :C=CCCC(=O)CH3
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
NO3 reactions
O3 reactions
OH reactions

Formula : C6H10O
Name : Cyclohexanone
CAS : 108-94-1
Smiles :[C(=O)CCCCC]
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
Cl reactions
OH reactions

Formula : CH3C(O)CH2CH2C(O)CH3
Name : 2,5-hexanedione
CAS : 110-13-4
Smiles :CC(=O)CCC(=O)C
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
OH reactions

Representation of Ethylene glycol diacetate

Formula : CH3C(O)O(CH2)2OC(O)CH3
Name : Ethylene glycol diacetate
CAS : 111-55-7
Smiles :CC(O)OCCOC(O)C
InChI=1S/C6H14O4/c1-5(7)9-3-4-10-6(2)8/h5-8H,3-4H2,1-2H3
Cl reactions
OH reactions

Formula : (C2H5)2CHCHO
Name : 2-Ethylbutanal
CAS : 97-96-1
Smiles :O=CC(CC)CC
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
NO3 reactions
OH reactions

Formula : CH3C(O)CH2CH2CH2CH3
Name : 2-Hexanone
CAS : 591-78-6
Smiles :O=C(CCCC)C
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
Cl reactions
OH reactions

Formula : C2H5CH(CH3)CH2CHO
Name : 2-Methylpentanal
CAS : 123-15-9
Smiles :O=CC(CCC)C
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
NO3 reactions
OH reactions

Representation of 3,3-Dimethyl-2-butanone

Formula : (CH3)3CC(O)CH3
Name : 3,3-Dimethyl-2-butanone
CAS : 75-97-8
Smiles :O=C(C(C)(C)C)C
InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
OH reactions

Formula : (CH3)3CCH2CHO
Name : 3,3-Dimethylbutanal
CAS : 2987-16-8
Smiles :C(=O)CC(C)(C)C
InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
NO3 reactions
OH reactions

Formula : CH3CH2C(O)CH2CH2CH3
Name : 3-Hexanone
CAS : 589-38-8
Smiles :O=C(CCC)CC
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
Cl reactions
OH reactions

Formula : CH3CH2CH(CH3)CH2CHO
Name : 3-Methylpentanal
CAS : 15877-57-3
Smiles :O=CCC(C)CC
InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
NO3 reactions
OH reactions

Formula : CH3C(O)CH2CH(CH3)2
Name : 4-Methyl-2-pentanone
CAS : 108-10-1
Smiles :O=C(CC(C)C)C
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
Cl reactions
OH reactions

Formula : CH3CH(CH3)CH2CH2CHO
Name : 4-Methylpentanal
CAS : 1119-16-0
Smiles :CC(C)CCC=O
InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
NO3 reactions
OH reactions

Formula : CH3(CH2)4CHO
Name : Hexanal
CAS : 66-25-1
Smiles :O=CCCCCC
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : C6H12O
Name : Oxepane
CAS : 592-94-9
Smiles :O1CCCCCC1
InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
OH reactions

Formula : CH3CH2C(O)CH(OH)CH2CH3
Name : 4-Hydroxy-3-hexanone
CAS : 4984-85-4
Smiles :OC(CC)C(=O)CC
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
OH reactions

Formula : C3H7C(O)OCH2CH3
Name : Ethyl butyrate
CAS : 105-54-4
Smiles :CCCC(=O)OCC
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
OH reactions

Formula : CH3C(O)OCH2CH(CH3)2
Name : iso-Butyl acetate
CAS : 110-19-0
Smiles :O=C(OCC(C)C)C
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
Cl reactions
OH reactions

Formula : C4H9C(O)OCH3
Name : Methyl pentanoate
CAS : 624-24-8
Smiles :CCCCC(=O)OC
InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
Cl reactions
OH reactions

Representation of Methyl-2-methyl-butanoate

Formula : CH3CH2CH(CH3)C(O)OCH3
Name : Methyl-2-methyl-butanoate
CAS : 868-57-5
Smiles :CCC(C)C(=O)OC
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Cl reactions
OH reactions

Formula : CH3C(O)OCH2CH2CH2CH3
Name : n-Butyl acetate
CAS : 123-86-4
Smiles :O=C(OCCCC)C
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
Cl reactions
OH reactions

Formula : C2H5C(O)OCH2CH2CH3
Name : n-Propyl propionate
CAS : 106-36-5
Smiles :O=C(OCCC)CC
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
OH reactions

Formula : CH3C(O)OCH(CH3)C2H5
Name : sec-Butyl acetate
CAS : 105-46-4
Smiles :O=C(OC(CC)C)C
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
Cl reactions
OH reactions

Formula : CH3CH2C(CH3)2OC(O)H
Name : tert-amyl formate
CAS :
Smiles :
OH reactions

Formula : CH3C(O)OC(CH3)3
Name : tert-Butyl acetate
CAS : 540-88-5
Smiles :O=C(OC(C)(C)C)C
InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
Cl reactions
OH reactions

Formula : CH3C(O)OCH2CH2OCH2CH3
Name : 2-Ethoxyethyl acetate
CAS : 111-15-9
Smiles :
OH reactions

Representation of 2-hydroxy-2-methylpropyl acetate

Formula : CH3C(O)OCH2C(OH)(CH3)2
Name : 2-hydroxy-2-methylpropyl acetate
CAS :
Smiles :
OH reactions

Formula : CH3CH2CH2CH2CH2CH2OH
Name : 1-Hexanol
CAS : 111-27-3
Smiles :OCCCCCC
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Cl reactions
OH reactions

Representation of 2,3-Dimethyl-2-butanol

Formula : (CH3)2C(OH)CH(CH3)2
Name : 2,3-Dimethyl-2-butanol
CAS : 594-60-5
Smiles :CC(O)(C)C(C)C
InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3
Cl reactions
OH reactions

Formula : CH3CH(OH)CH2CH2CH2CH3
Name : 2-Hexanol
CAS : 626-93-7
Smiles :OC(CCCC)C
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
OH reactions

Formula : CH3C(CH3)(OH)CH2CH2CH3
Name : 2-Methyl-2-pentanol
CAS : 590-36-3
Smiles :OC(CCC)(C)C
InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
OH reactions

Formula : CH3CH(OH)CH2CH(CH3)2
Name : 4-Methyl-2-pentanol
CAS : 108-11-2
Smiles :OC(CC(C)C)C
InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
OH reactions

Formula : C2H5OC4H9
Name : Butyl ethyl ether
CAS : 628-81-9
Smiles :O(CC)CCCC
InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)2CHOCH(CH3)2
Name : Di-isopropyl ether
CAS : 108-20-3
Smiles :CC(C)OC(C)C
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
Cl reactions
NO3 reactions
OH reactions

Formula : C3H7OC3H7
Name : Di-n-propyl ether
CAS : 111-43-3
Smiles :O(CCC)CCC
InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : C4H9OC2H5
Name : Ethyl n-butyl ether
CAS : 628-81-9
Smiles :O(CC)CCCC
InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3
OH reactions

Representation of Ethyl tert-butyl ether

Formula : C2H5OC(CH3)3
Name : Ethyl tert-butyl ether
CAS : 637-92-3
Smiles :O(C(C)(C)C)CC
InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
Cl reactions
NO3 reactions
OH reactions

Representation of Tert-amyl methyl ether

Formula : CH3OC(CH3)2C2H5
Name : Tert-amyl methyl ether
CAS : 994-05-8
Smiles :COC(C)(C)CC
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
NO3 reactions
OH reactions

Formula : CH3CH2CH2CH2OCH2CH2OH
Name : 2-Butoxyethanol
CAS : 111-76-2
Smiles :CCCCOCCO
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
NO3 reactions
O3 reactions
OH reactions

Representation of 2-Methyl-2,4-pentanediol

Formula : CH3C(CH3)(OH)CH2CH(OH)CH3
Name : 2-Methyl-2,4-pentanediol
CAS : 107-41-5
Smiles :CC(C)(O)CC(O)C
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
OH reactions

Formula : CH3CH2OCH2CH2OCH2CH3
Name : Diethoxy ethane
CAS : 629-14-1
Smiles :CCOCCOCC
InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
OH reactions

Formula : C6H14O2
Name : Dimethoxybutane
CAS : ***
Smiles :COCCCCOC
InChI=1S/C6H14O2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3
OH reactions

Representation of 1,1,3-Trimethoxypropane

Formula : C6H14O3
Name : 1,1,3-Trimethoxypropane
CAS : 14315-97-0
Smiles :COC(OC)CCOC
InChI=1S/C6H14O3/c1-7-5-4-6(8-2)9-3/h6H,4-5H2,1-3H3
OH reactions

Formula : C6H14O3
Name : 2-Methoxyethylether
CAS : 111-96-6
Smiles :COCCOCCOC
InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
OH reactions

Representation of Diethylene glycol ethyl ether

Formula : CH3CH2OCH2CH2OCH2CH2OH
Name : Diethylene glycol ethyl ether
CAS : 111-90-0
Smiles :CCOCCOCCO
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
OH reactions

Representation of 3,3,4,4,5,5,6,6,6-hexanal

Formula : CF3CF2CF2CF2CH2CHO
Name : 3,3,4,4,5,5,6,6,6-hexanal
CAS :
Smiles :
Cl reactions

Representation of Perfluoro-(4-methylpentan-3-one)

Formula : C2F5C(O)CF(CF3)2
Name : Perfluoro-(4-methylpentan-3-one)
CAS :
Smiles :C(C(C(=O)C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)(F)F
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
Cl reactions
O3 reactions
OH reactions

Formula : HCF2O(CF2CF2O)2CF2H
Name : ***
CAS :
Smiles :
Cl reactions

Formula : c-C6H11OH
Name : Cyclohexanol
CAS : 108-93-0
Smiles :OC(CCCC1)C1
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
OH reactions

Representation of 2,4-Dimethyl-3-pentanone

Formula : (CH3)2CHC(O)CH(CH3)2
Name : 2,4-Dimethyl-3-pentanone
CAS : 565-80-0
Smiles :O=C(C(C)C)C(C)C
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
OH reactions

Formula : CH3C(O)CH2CH2CH2CH2CH3
Name : 2-Heptanone
CAS : 110-43-0
Smiles :O=C(CCCCC)C
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
OH reactions

Formula : (CH3)2CHCH2CH2C(O)CH3
Name : 5-Methyl-2-hexanone
CAS : 110-12-3
Smiles :O=C(CCC(C)C)C
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
Cl reactions
OH reactions

Formula : CH3(CH2)5CHO
Name : Heptanal
CAS : 111-71-7
Smiles :O=CCCCCCC
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
Cl reactions
NO3 reactions
OH reactions

Formula : (CH3)2CHC(O)OCH(CH3)2
Name : isopropyl isobutyrate
CAS : 617-50-5
Smiles :CC(C)C(=O)OC(C)C
InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
OH reactions

Formula : C5H11C(O)OCH3
Name : Methyl hexanoate
CAS : 106-70-7
Smiles :CCCCCC(=O)OC
InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
Cl reactions
OH reactions

Formula : C2H5C(O)O(CH2)3CH3
Name : n-butyl propionate
CAS : 590-01-2
Smiles :CCCCOC(=O)CC
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
Cl reactions
OH reactions

Formula : CH3C(O)OCH2CH2CH2CH2CH3
Name : n-Pentyl acetate
CAS : 628-63-7
Smiles :O=C(OCCCCC)C
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
OH reactions

Formula : C3H7C(O)OCH2CH2CH3
Name : n-Propyl butyrate
CAS : 105-66-8
Smiles :O=C(OCCC)CCC
InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
Cl reactions
OH reactions

Formula : CH3CH2C(CH3)2OC(O)CH3
Name : tert-amyl acetate
CAS :
Smiles :
OH reactions

Representation of Ethyl 3-ethoxypropionate

Formula : CH3CH2OCH2CH2C(O)OCH2CH3
Name : Ethyl 3-ethoxypropionate
CAS : 763-69-9
Smiles :O=C(OCC)CCOCC
InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
OH reactions

Formula : CH3CH2CH2CH2CH2CH2CH2OH
Name : 1-Heptanol
CAS : 111-70-6
Smiles :OCCCCCCC
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
OH reactions

Representation of 2,4-Dimethyl-2-pentanol

Formula : (CH3)2C(OH)CH2CH(CH3)2
Name : 2,4-Dimethyl-2-pentanol
CAS : 625-06-9
Smiles :CC(O)(C)CC(C)C
InChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3
OH reactions

Formula : CH3CH2CH2CH(OH)CH2CH2CH3
Name : 4-Heptanol
CAS : 589-55-9
Smiles :CCCC(CCC)O[H]
InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
NO3 reactions

Representation of Isobutyl isopropyl ether

Formula : (CH3)2CHOCH2CH(CH3)2
Name : Isobutyl isopropyl ether
CAS : 108-20-3
Smiles :CC(COCC(C)C)C
InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
OH reactions

Formula : C4H9OCH2CH(OH)CH3
Name : 1-butoxy-2-propanol
CAS : 5131-66-8
Smiles :CCCCOCC(O)C
InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
OH reactions

Formula : (CH3)2C(OC2H5)2
Name : 2,2-Diethoxypropane
CAS : 126-84-1
Smiles :O(C(OCC)(C)C)CC
InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3
OH reactions

Representation of Di-iso-propoxy methane

Formula : (CH3)2CHOCH2OCH(CH3)2
Name : Di-iso-propoxy methane
CAS : ***
Smiles :C(C)COCOC(C)C
InChI=1S/C7H16O2/c1-4-5-8-6-9-7(2)3/h7H,4-6H2,1-3H3
OH reactions

Formula : CH3CH2CH2OCH2OCH2CH2CH3
Name : Di-n-propoxy methane
CAS : ***
Smiles :CCCOCOCCC
InChI=1S/C7H16O2/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3
OH reactions

Representation of Methyl cyclohexane carboxylate

Formula : C6H11C(O)OCH3
Name : Methyl cyclohexane carboxylate
CAS : 4630-82-4
Smiles :COC(=O)C1CCCCC1
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
Cl reactions

Formula : CH3C(O)CH2CH2CH2CH2CH2CH3
Name : 2-Octanone
CAS : 111-13-7
Smiles :O=C(CCCCCC)C
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
OH reactions

Formula : CH3(CH2)5C(O)OCH3
Name : Methyl heptanoate
CAS : 106-73-0
Smiles :CCCCCCC(=O)OC
InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
Cl reactions

Formula : C3H7C(O)O(CH2)3CH3
Name : n-Butyl butyrate
CAS : 109-21-7
Smiles :O=C(OCCCC)CCC
InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
Cl reactions
OH reactions

Representation of 2-Ethoxyethyl isobutyrate

Formula : (CH3)2CHC(O)OCH2CH2OCH2CH3
Name : 2-Ethoxyethyl isobutyrate
CAS : 54396-97-3
Smiles :O=C(OCCOCC)C
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
OH reactions

Formula : CH3CH2CH2CH2CH2CH2CH2CH2OH
Name : 1-Octanol
CAS : 111-87-5
Smiles :OCCCCCCCC
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH2CH2CH(C2H5)CH2OH
Name : 2-ethyl-1-hexanol
CAS : 104-76-7
Smiles :CCCCC(CC)CO
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
Cl reactions
NO3 reactions
OH reactions

Representation of 3,5-Dimethyl-3-hexanol

Formula : CH3CH2C(CH3)(OH)CH2CH(CH3)2
Name : 3,5-Dimethyl-3-hexanol
CAS : 4209-91-0
Smiles :OC(CC(C)C)(CC)C
InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3
OH reactions

Formula : C4H9OC4H9
Name : Di-n-butyl ether
CAS : 142-96-1
Smiles :O(CCCC)CCCC
InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
Cl reactions
OH reactions

Formula : (CH3)3COC(CH3)3
Name : Di-tert-butyl ether
CAS : 6163-66-2
Smiles :O(C(C)(C)C)C(C)(C)C
InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3
Cl reactions
NO3 reactions
OH reactions

Formula : (CH3)2CHCH2OCH2CH(CH3)2
Name : Diisobutyl Ether
CAS : 628-55-7
Smiles :C(C)CCOCC(C)C
InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3
OH reactions

Formula : C8H18O3
Name : 2-Ethoxyethylether
CAS : 112-36-7
Smiles :CCOCCOCCOCC
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
OH reactions

Representation of Diethylene glycol n-butyl ether

Formula : CH3CH2CH2CH2OCH2CH2OCH2CH2OH
Name : Diethylene glycol n-butyl ether
CAS : 112-34-5
Smiles :CCCCOCCOCCO
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
OH reactions

Formula : C6F13CH2CHO
Name :
CAS :
Smiles :F(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)
InChI=1S/C8H5F13O/c9-4(10,1-2-22)6(13,14)8(17,18)7(15,16)5(11,12)3-21(19)20/h2H,1,3H2
Cl reactions
OH reactions

Formula : C9H14O
Name : Nopinone
CAS : 24903-95-5
Smiles :O=C(C(CC1C2)C1(C)C)C2
InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
NO3 reactions
O3 reactions
OH reactions

Formula : C9H14O
Name : Sabinaketone
CAS : 513-20-2
Smiles :O=C(C(C1(C2)C(C)C)C1)C2
InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3
NO3 reactions
O3 reactions
OH reactions

Representation of 2,6-Dimethyl-4-heptanone

Formula : (CH3)2CHCH2C(O)CH2CH(CH3)2
Name : 2,6-Dimethyl-4-heptanone
CAS : 108-83-8
Smiles :O=C(CC(C)C)CC(C)C
InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
OH reactions

Formula : CH3C(O)CH2CH2CH2CH2CH2CH2CH3
Name : 2-Nonanone
CAS : 821-55-6
Smiles :O=C(CCCCCCC)C
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
OH reactions

Formula : (CH3)2CHCH2OCH2OCH2CH(CH3)2
Name : Di-iso-butoxy methane
CAS : ***
Smiles :C(C)CCOCOCC(C)C
InChI=1S/C9H20O2/c1-4-5-6-10-8-11-7-9(2)3/h9H,4-8H2,1-3H3
OH reactions

Formula : CH3CH2CH2CH2OCH2OCH2CH2CH2CH3
Name : Di-n-butoxy methane
CAS : ***
Smiles :CCCCOCOCCCC
InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
OH reactions

Formula : CH3CH2CH(CH3)OCH2OCH(CH3)CH2CH3
Name : Di-sec-butoxy methane
CAS : ***
Smiles :CCC(C)OCO(C)CCC
InChI=1S/C9H21O2/c1-5-7-11(4)8-10-9(3)6-2/h9H,5-8H2,1-4H3
OH reactions

Formula : C10H16O2
Name : Caronaldehyde
CAS : ***
Smiles :CC(=O)CC1C(C)(C)C1CC(=O)
InChI=1S/C10H16O2/c1-7(12)6-9-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3
NO3 reactions
O3 reactions
OH reactions

Formula : C10H16O2
Name : Pinonaldehyde
CAS : 2704-78-1
Smiles :CC(=O)C1C(C)(C)C(C1)CC(O)
InChI=1S/C10H18O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9,11H,4-6H2,1-3H3
Cl reactions
NO3 reactions
O3 reactions
OH reactions

Formula : CH3(CH2)7C(O)CH3
Name : 2-Decanone
CAS : 693-54-9
Smiles :O=C(CCCCCCCC)C
InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
OH reactions

Formula : C5H11OC5H11
Name : Di-n-pentyl ether
CAS : 693-65-2
Smiles :O(CCCCC)CCCCC
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
Cl reactions
OH reactions

Formula : HCF2O(CF2CF2O)4CF2H
Name : ***
CAS :
Smiles :
Cl reactions