4- (4-Methylpentyl) cyclohexan-1-one

CAT: 0926-PAA37090-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-PAA37090-02Size:0.5 g

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CAS Number

14370-90-2

MDL Number

MFCD26030954

Smiles

CC (C) CCCC1CCC (=O) CC1

Molecular Formula

C12H22O

Molecular Weight

182.3 g/mol

Controlled

Chemical Information

4-(4-Methylpentyl)cyclohexan-1-one

CAS Number	14370-90-2
PubChem CID	18320302
IUPAC Name	4-(4-methylpentyl)cyclohexan-1-one
Molecular Formula	C12H22O
Molecular Weight	182.30
XLogP	3.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	151

SMILES

CC(C)CCCC1CCC(=O)CC1

InChI

InChI=1S/C12H22O/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h10-11H,3-9H2,1-2H3

InChIKey

MRMCVCAJVDSTBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14370-90-2

CID: 18320302

Formula: C12H22O

MW: 182.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.30
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	182.167065321
Monoisotopic Mass	182.167065321
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	151
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
FAA30916-01	4- (4-Methoxyphenyl) cyclohexan-1-one
QMC33669-01	4- (Cyclohexyloxy) cyclohexan-1-one
RMC47808-01	4- (Cyclopentyloxy) cyclohexan-1-one
VXC61575-01	4- (Methanesulfonylmethyl) cyclohexan-1-one
XHA38733-01	4- (Bromomethyl) cyclohexan-1-one
SAA15984-01	4- (Methoxymethyl) cyclohexan-1-one
TEC79572-01	4- (4-Methylphenyl) cyclohexan-1-amines
VEA92990-01	4-Hydroxy-4- (trifluoromethyl) cyclohexan-1-one
QCA61871-01	4- (4-Chlorophenyl) -4- (dimethylamino) cyclohexan-1-one
XZB76688-01	1- (2-Methylpentyl) piperidin-4-one

Catalog	Name
RG-E140393-01	4- (methylamino) cyclohexan-1-one
OR18843-01	4- (Benzyloxy) cyclohexan-1-one
sc-261541A	4- (Trifluoromethyl) cyclohexan-1-one
PC110234-01	4- (Difluoromethyl) cyclohexan-1-one
OR1005888	4- (Methylsulfonyl) cyclohexan-1-one
PC1006330-01	4- (Trifluoromethoxy) cyclohexan-1-one
OR49023-01	4- (Dimethylamino) cyclohexan-1-one
OR1065214-01	4- (Benzylamino) cyclohexan-1-one
OR88035-01	4- (Bromomethyl) cyclohexan-1-one
OR6431-01	4- (Hydroxymethyl) cyclohexan-1-one