cis-1,2-Cyclohexanediol

C6H12O2CAS 1792-81-0116.16 g/mol

Open in Covalent MOL file
HOHO
Alcohol

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Melting point
100 °C
Boiling point
120 °C
logP
0.28Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1792-81-0
SMILES
O[C@@H]1CCCC[C@@H]1O
InChIKey
PFURGBBHAOXLIO-OLQVQODUNA-N
InChI
InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,2-Cyclohexanediol, (1R,2S)-rel-
  • 1,2-Cyclohexanediol, cis-
  • Rel-(1R,2S)-1,2-Cyclohexanediol
  • Grandidentol
  • 1,2-cis-Dihydroxycyclohexane
  • cis-2-Hydroxycyclohexanol
  • cis-1,2-Dihydroxycyclohexane
  • meso-cis-1,2-Cyclohexanediol
  • meso-1,2-Cyclohexanediol
  • 1,2-cis-Cyclohexaneanediol
  • NSC 52143
  • (1R,2S)-1,2-Cyclohexanediol

Reactions

Work with cis-1,2-Cyclohexanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexane-1,2-diol931-17-9Stereo not defined trans-1,2-Cyclohexanediol1460-57-7Diastereomer

Similar compounds

(1,1'-Bi(cyclohexane))-2,2'-diol17385-36-367 % similar 2-Chlorocyclohexanol1561-86-056 % similar 2-Methylcyclohexanol583-59-556 % similar 2-Aminocyclohexanol6850-38-056 % similar cis-2-Methylcyclohexanol7443-70-156 % similar (1R,2R)-2-Aminocyclohexanol931-16-856 % similar 2-tert-Butylcyclohexanol13491-79-748 % similar trans-2-Aminocyclohexanol hydrochloride5456-63-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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