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Ketones Exploration

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



Representation of Acetone
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


Representation of Fluoroacetone
Formula : CH2FC(O)CH3
Name : Fluoroacetone
CAS : 430-51-3
Smiles :FCC(=O)C
InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
Cl reactions
OH reactions


Representation of 1,1,1-Trifluoroacetone
Formula : CF3C(O)CH3
Name : 1,1,1-Trifluoroacetone
CAS : 421-50-1
Smiles :FC(F)(F)C(O)C
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
Cl reactions
OH reactions


Representation of Chloroacetone
Formula : CH2ClC(O)CH3
Name : Chloroacetone
CAS : 78-95-5
Smiles :ClCC(=O)C
InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
Cl reactions
OH reactions


Representation of 1,1-Dichloroacetone
Formula : CHCl2C(O)CH3
Name : 1,1-Dichloroacetone
CAS : 513-88-2
Smiles :Cl(Cl)CC(=O)C
InChI=1S/C3H6Cl2O/c1-3(6)2-5-4/h5H,2H2,1H3
Cl reactions
OH reactions


Representation of 1,1,1-Trichloroacetone
Formula : CCl3C(O)CH3
Name : 1,1,1-Trichloroacetone
CAS : 918-00-3
Smiles :Cl(Cl)(Cl)CC(=O)C
InChI=1S/C3H5Cl3O/c1-3(7)2-6(4)5/h2H2,1H3
Cl reactions
OH reactions


Representation of 2(5H)-Furanone
Formula : C4H4O2
Name : 2(5H)-Furanone
CAS : 497-23-4
Smiles :C1C=CC(O1)=O
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
O3 reactions


Representation of Methyl vinyl ketone
Formula : CH2=CHC(O)CH3
Name : Methyl vinyl ketone
CAS : 78-94-4
Smiles :O=C(C=C)C
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
NO3 reactions
O3 reactions
OH reactions


Representation of Cyclobutanone
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


Representation of 2-Butanone
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


Representation of Ethyl vinyl ketone
Formula : C2H5C(O)CH=CH2
Name : Ethyl vinyl ketone
CAS : 1629-58-9
Smiles :O=C(C=C)CC
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
Cl reactions


Representation of Cyclopentanone
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


Representation of Ethyl vinyl ketone
Formula : C2H5C(O)CH=CH2
Name : Ethyl vinyl ketone
CAS : 1629-58-9
Smiles :O=C(C=C)CC
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
NO3 reactions


Representation of 3-Methyl-3-buten-2-one
Formula : CH2=C(CH3)C(O)CH3
Name : 3-Methyl-3-buten-2-one
CAS : 814-78-8
Smiles :C=C(C)C(=O)C
InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
NO3 reactions


Representation of E-3-Penten-2-one
Formula : CH3CH=CHC(O)CH3
Name : E-3-Penten-2-one
CAS : 625-33-2
Smiles :O=C(C=CC)C
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
NO3 reactions


Representation of Ethyl vinyl ketone
Formula : C2H5C(O)CH=CH2
Name : Ethyl vinyl ketone
CAS : 1629-58-9
Smiles :O=C(C=C)CC
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
O3 reactions


Representation of E-3-Penten-2-one
Formula : CH3CH=CHC(O)CH3
Name : E-3-Penten-2-one
CAS : 625-33-2
Smiles :O=C(C=CC)C
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
O3 reactions


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


Representation of 1-Penten-3-one
Formula : CH2=CHC(O)CH2CH3
Name : 1-Penten-3-one
CAS : 1629-58-9
Smiles :C=CC(=O)CC
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
OH reactions


Representation of 2-Pentanone
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


Representation of 3-Pentanone
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


Representation of 3-Methyl-2-butanone
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


Representation of 2-Pentanone
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
OH reactions


Representation of 3-Pentanone
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
OH reactions


Representation of 3-Methyl-2-butanone
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
OH reactions


Representation of 2-Oxo-cyclohexyl-1-nitrate
Formula : C6H9O4N
Name : 2-Oxo-cyclohexyl-1-nitrate
CAS : ***
Smiles :***
OH reactions


Representation of Cyclohexanone
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


Representation of 4-Methyl-3-penten-2-one
Formula : (CH3)2C=CHC(O)CH3
Name : 4-Methyl-3-penten-2-one
CAS : 141-79-7
Smiles :O=C(C=C(C)C)C
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
NO3 reactions


Representation of E-3-Methyl-3-penten-2-one
Formula : CH3CH=C(CH3)C(O)CH3
Name : E-3-Methyl-3-penten-2-one
CAS : 565-62-8
Smiles :CC(=O)C(C)=CC
InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3
NO3 reactions


Representation of 4-Methyl-3-penten-2-one
Formula : (CH3)2C=CHC(O)CH3
Name : 4-Methyl-3-penten-2-one
CAS : 141-79-7
Smiles :O=C(C=C(C)C)C
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
O3 reactions


Representation of Cyclohexanone
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
OH reactions


Representation of 2-Hexanone
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


Representation of 3-Hexanone
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


Representation of 4-Methyl-2-pentanone
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


Representation of 2-Hexanone
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
OH reactions


Representation of 3-Hexanone
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
OH reactions


Representation of 4-Methyl-2-pentanone
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
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


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


Representation of 4-Methylcyclohex-3-en-1-one
Formula : C7H10O
Name : 4-Methylcyclohex-3-en-1-one
CAS : 226-065-7
Smiles :C1CC(C)=CCC1(=O)
InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h2H,3-5H2,1H3
NO3 reactions
O3 reactions
OH reactions


Representation of 5-Methyl-2-hexanone
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


Representation of 2-Heptanone
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


Representation of 5-Methyl-2-hexanone
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
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


Representation of 6-Methyl-5-hepten-2-one
Formula : (CH3)2C=CHCH2CH2C(O)CH3
Name : 6-Methyl-5-hepten-2-one
CAS : 110-93-0
Smiles :O=C(CCC=C(C)C)C
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
NO3 reactions
O3 reactions
OH reactions


Representation of 2-Octanone
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


Representation of Sabinaketone
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


Representation of Nopinone
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


Representation of Sabinaketone
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
O3 reactions


Representation of Nopinone
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
O3 reactions


Representation of Sabinaketone
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
OH reactions


Representation of Nopinone
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
OH reactions


Representation of 2-Nonanone
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


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


Representation of 1,4-Naphthoquinone
Formula : C10H6O2
Name : 1,4-Naphthoquinone
CAS : 130-15-4
Smiles :O=C2C=CC(C1=CC=CC=C12)=O
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
NO3 reactions
O3 reactions
OH reactions


Representation of 2-Decanone
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

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