3,3-Dimethylcyclohexan-1-ol

CAT: 0926-AAA76712-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-AAA76712-02Size:10 g

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CAS Number

767-12-4

MDL Number

MFCD00045491

Smiles

CC1 (CCCC (C1) O) C

Molecular Formula

C8H16O

Molecular Weight

128.21 g/mol

Controlled

Chemical Information

Cyclohexanol, 3,3-dimethyl-

CAS Number	767-12-4
PubChem CID	79105
IUPAC Name	3,3-dimethylcyclohexan-1-ol
Molecular Formula	C8H16O
Molecular Weight	128.21
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	96

SMILES

CC1(CCCC(C1)O)C

InChI

InChI=1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3

InChIKey

DQBDGNSFXSCBJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 767-12-4

CID: 79105

Formula: C8H16O

MW: 128.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.21
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	96.7
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
FCA53904-01	1,3-Dimethylcyclohexan-1-ol
FAA40229-01	1,2-Dimethylcyclohexan-1-ol
UCA54291-01	2,4-Dimethylcyclohexan-1-ol
TCA48362-01	1-Ethynyl-4,4-dimethylcyclohexan-1-ol
EJB91987-01	1- (Aminomethyl) -4,4-dimethylcyclohexan-1-ol
MBA69443-01	3,3-Dimethylcyclohexan-1-amine
VJC65659-01	2- (Aminomethyl) -4,4-dimethylcyclohexan-1-ol
BJA54907-01	3,3-Dimethylcyclohexan-1-amine hydrochloride
JCA47738-01	3,4-Dimethylcyclohexan-1-amine
NAA39576-01	2,3-Dimethylcyclohexan-1-one

Catalog	Name
OR1037708-01	3,3-Dimethylcyclohexan-1-ol
OR22877-01	4,4-Dimethylcyclohexan-1-ol
OR1070051-01	(1s,3R,5S) -rel-3,5-Dimethylcyclohexan-1-ol
OR1059347-01	4-Amino-2,2-dimethylcyclohexan-1-ol hydrochloride
JH198816	3,3-diphenylpropan-1-ol
PC101996-01	3,3-Difluoropropan-1-ol
OR74677-01	3,3-Diethoxypropan-1-ol
OR83419-01	3,3-Dimethoxycyclobutan-1-ol
sc-261127	3,3,3-Trifluoropropan-1-ol
TRC-D455900-500MG	3,3-Difluorobutan-1-ol