4-Hydroxy-3,3-dimethylcyclohexanone

CAT: 0127-OR1066820-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1066820-01Size:25 mg

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CAS Number

888325-29-9

MDL Number

MFCD18157601

Purity

95%

Smiles

O=C1CC(C)(C)C(O)CC1

Chemical Information

4-Hydroxy-3,3-dimethylcyclohexanone

CAS Number	888325-29-9
PubChem CID	11499234
IUPAC Name	4-hydroxy-3,3-dimethylcyclohexan-1-one
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	0.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	149

SMILES

CC1(CC(=O)CCC1O)C

InChI

InChI=1S/C8H14O2/c1-8(2)5-6(9)3-4-7(8)10/h7,10H,3-5H2,1-2H3

InChIKey

TVEFGDBEVBAUDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 888325-29-9

CID: 11499234

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR938021-01	3,4-Dimethylcyclohexanone
OR1077448	(S) - (+) -3-Hydroxy-2,2-dimethylcyclohexanone
OR315523-01	3,3-Dimethylcyclohexanone
OR938239-01	3,5-Dimethylcyclohexanone
OR1010176-01	2,6-Dimethylcyclohexanone
OR1071225-01	3-Hydroxy-3- (3-hydroxy-4-methoxyphenyl) propanoic acid
OR1025462-01	2,2-Dimethylcyclohexanone
OR1024680-01	2,5-Dimethylcyclohexanone
OR1096655	4-Hydroxy-3-isopropylbenzaldehyde
OR1007396-01	3-Hydroxy-4-nitrobenzonitrile

Catalog	Name
HY-W047428-01	4-Hydroxy-3,3-dimethylcyclohexanone
RG-E141582-01	5-Hydroxy-3,3-dimethylcyclohexanone
FD29427-01	3,3-Dimethylcyclohexanone
904025	3,3‐DIMETHYLCYCLOHEXANONE
280175-01	S- (+) -3-Hydroxy-2,2-dimethylcyclohexanone
sc-485504	(S) - (+) -3-Hydroxy-2,2-dimethylcyclohexanone
sc-485542	3,4-Dimethylcyclohexanone (mixture of isomers)
sc-485543	3,5-Dimethylcyclohexanone
sc-277678	4,4-Dimethylcyclohexanone
TRC-D464510-250MG	(3R,5S)-rel-3,5-Dimethylcyclohexanone