trans-1,2-Cyclohexanediol
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
Identifiers
CAS number
1460-57-7SMILES
O[C@H]1CCCC[C@@H]1OInChIKey
PFURGBBHAOXLIO-IOMOGOHMNA-NInChI
InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/s2Weigh it out
Type any one amount. The others follow from the molar mass.
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
Similar compounds
cis-1,2-Cyclohexanediol1792-81-0100 % similar
Cyclohexane-1,2-diol931-17-9100 % similar
2-Methylcyclohexanol583-59-556 % similar
cis-2-Methylcyclohexanol7443-70-156 % similar
(1R,2R)-2-Aminocyclohexanol931-16-856 % similar
2-tert-Butylcyclohexanol13491-79-748 % similar
Cyclopentanol96-41-347 % similar
Cyclohexanol108-93-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds