Cyclohexyl methyl ketone

CAT: 0024-sc-278894Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-278894Size:5 g

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CAS Number

823-76-7

Chemical Information

Cyclohexyl methyl ketone

1-cyclohexylethanone is a methyl ketone that is cyclohexane substituted by an acetyl group at position 1.

CAS Number	823-76-7
PubChem CID	13207
IUPAC Name	1-cyclohexylethanone
Molecular Formula	C8H14O
Molecular Weight	126.20
XLogP	2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	101

SMILES

CC(=O)C1CCCCC1

InChI

InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey

RIFKADJTWUGDOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 823-76-7

CID: 13207

Formula: C8H14O

MW: 126.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.20
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268802	Cyclohexyl ethyl ketone
sc-216785	4-Benzyloxy-cyclohexyl Ketone (Mixture of Diastereomers)
sc-295457A	Methyl Perfluorobutyl Ketone
sc-363564	Montelukast Methyl Ketone
sc-295456	Methyl Perfluoroamyl Ketone
sc-295457	Methyl Perfluorobutyl Ketone
sc-234437	Cyclobutyl methyl ketone
sc-478815	Olmesartan Methyl Ketone
sc-295455	Methyl Pentadecafluoroheptyl Ketone
sc-239631	Cyclopropyl methyl ketone

Catalog	Name
C31640-01	Cyclohexyl methyl ketone 95%
FC71548-01	Cyclohexyl ethyl ketone
269530-01	Cyclohexyl phenyl ketone
445310-01	Cyclohexyl Vinyl Ketone
TRC-C988027-1G	Cyclohexyl-1-cyclohexenyl Ketone
C31770-01	Cyclohexyl phenyl ketone 98%
DAA27779-01	4-Bromophenyl cyclohexyl ketone
DAA27780-01	4-Chlorophenyl cyclohexyl ketone
3123605	Methyl isobutyl ketone (Isobutyl methyl ketone)
003726	4-Benzyloxy-cyclohexyl Ketone (Mixture of Diastereomers)