trans-1,2-Cyclohexanediol

C6H12O2CAS 1460-57-7116.16 g/mol

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HOHO
Alcohol

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Melting point
101–104 °C
Boiling point
117 °C
logP
0.28Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, 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
1460-57-7
SMILES
O[C@H]1CCCC[C@@H]1O
InChIKey
PFURGBBHAOXLIO-IOMOGOHMNA-N
InChI
InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/s2

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Names and synonyms

10 names
  • 1,2-Cyclohexanediol, (1R,2R)-rel-
  • 1,2-Cyclohexanediol, trans-
  • Rel-(1R,2R)-1,2-Cyclohexanediol
  • trans-1,2-Dihydroxycyclohexane
  • 1,2-trans-Cyclohexanediol
  • 1,2-trans-Dihydroxycyclohexane
  • trans-2-Hydroxycyclohexanol
  • (±)-trans-1,2-Cyclohexanediol
  • NSC 150568
  • NSC 34836

Reactions

Work with trans-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 cis-1,2-Cyclohexanediol1792-81-0Diastereomer

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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