Cis-3-Methylcyclohexan-1-ol

CAT: 0127-OR1074363-05Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1074363-05Size:5 g

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CAS Number

5454-79-5

MDL Number

MFCD00067155

Purity

97%

Smiles

O[C@H]1C[C@@H](C)CCC1

Chemical Information

cis-3-METHYLCYCLOHEXANOL

CAS Number	5454-79-5
PubChem CID	21599
IUPAC Name	cis-(1R,3S)-3-methylcyclohexan-1-ol
Molecular Formula	C7H14O
Molecular Weight	114.19
XLogP	1.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

C[C@H]1CCC[C@H](C1)O

InChI

InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1

InChIKey

HTSABYAWKQAHBT-NKWVEPMBSA-N

Chemical Structure

2D Structure

CAS: 5454-79-5

CID: 21599

Formula: C7H14O

MW: 114.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.19
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	114.104465066
Monoisotopic Mass	114.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
OR26578	Cis-2-Methylcyclohexan-1-ol
OR1030606	Cis-2-Methylcyclohexan-1-ol
OR61449-01	Cis-4-Amino-1-methylcyclohexan-1-ol
OR10028-01	2-Methylcyclohexan-1-ol
OR1070317-01	(1R,3R) -3-Amino-1-methylcyclohexan-1-ol
OR1021648	4-Amino-1-methylcyclohexan-1-ol
OR1049108-01	1-Ethynyl-4-methylcyclohexan-1-ol
BUP19913-01	Cis-3-Hexen-1-ol
OR1028437-01	Cis-3-Nonen-1-ol
OR1035423-01	Cis-3-phenylcyclobutan-1-ol

Catalog	Name
MBA02219-01	1- (Aminomethyl) -3-methylcyclohexan-1-ol
YZB09810-01	1- (4-Ethylphenyl) -3-methylcyclohexan-1-ol
FA183090	3-Amino-1-methylcyclohexan-1-ol hydrochloride
TRC-I407220-100MG	1-Isopropyl-4-methylcyclohexan-1-ol
IJA76432-01	4-amino-1-methylcyclohexan-1-ol
PCC96360-01	4-Amino-2-methylcyclohexan-1-ol
EJB43630-01	2-Amino-4-methylcyclohexan-1-ol
RYB16363-01	2- (Aminomethyl) -2-methylcyclohexan-1-ol
ZZB83707-01	2- (Benzyloxy) -4-methylcyclohexan-1-ol
UJC59657-01	4,4-Difluoro-1-methylcyclohexan-1-ol