Cis-1-Methylcyclohexane-1,4-diol

CAT: 0127-OR1031897-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1031897-01Size:250 mg

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CAS Number

124899-25-8

Purity

98%

Smiles

O[C@@]1(C)CC[C@@H](O)CC1

Chemical Information

1-Methylcyclohexane-1,4-diol

CAS Number	124899-25-8
PubChem CID	14449682
IUPAC Name	1-methylcyclohexane-1,4-diol
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	93

SMILES

CC1(CCC(CC1)O)O

InChI

InChI=1S/C7H14O2/c1-7(9)4-2-6(8)3-5-7/h6,8-9H,2-5H2,1H3

InChIKey

YXZQSMBYXJWRSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124899-25-8

CID: 14449682

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93.1
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
OR1068160-01	Trans-1-Methylcyclohexane-1,4-diol
OR1102710-01	Methyl cis-4-hydroxy-1-methylcyclohexane-1-carboxylate
OR1102199-01	Cis-4-Amino-1-methylcyclohexane-1-carbonitrile hydrochloride
OR1027457-01	Cis-Cyclohexane-1,4-Diol
OR322236-01	Cis-4-Cyclopentene-1,3-diol
OR1070485-01	1-MEthoxy-4-methylcyclohexane
OR470766	1- (Chloromethyl) -4-methylcyclohexane
OR1059755-01	1-Ethyl-4-methylcyclohexane
OR322145-01	1-Bromo-4-methylcyclohexane
OR1074191-01	Cis-Cyclooctane-1,5-diol

Catalog	Name
TRC-C392010-25MG	Cis-1-(Cyclohexylmethyl)-4-methylcyclohexane
sc-294049	Cis-1-Isopropyl-4-methylcyclohexane
sc-273259	1-Bromo-4-methylcyclohexane, cis + trans
163106	Cis-1-Butene-1,4-diol
sc-486604	1-Ethyl-4-methylcyclohexane (cis- and trans- mixture)
AR-C08597-01	Cis-1,4-Dimethylcyclohexane-1,4-diol
GTR19278195-01	4- (2-hydroxypropan-2-yl) -1-methylcyclohexane-1,3-diol
sc-239560	Cis-2-Butene-1,4-diol
FC30625-01	Cis-4-Cyclopentene-1,3-diol
FB158452-01	Cis-2-Buten-1,4-diol