Rel-(1R,2R)-1,2-Cyclohexanedimethanol

C8H16O2CAS 25712-33-8144.21 g/mol

Open in Covalent MOL file
HOHO
Alcohol

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Melting point
57 °C
Boiling point
130–131 °C (at 0.5 Torr)
logP
0.78Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
R, Rin 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
25712-33-8
SMILES
OC[C@@H]1CCCC[C@H]1CO
InChIKey
XDODWINGEHBYRT-YZYOREDDNA-N
InChI
InChI=1/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/s2

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Cyclohexanedimethanol, (1R,2R)-rel-
  • 1,2-Cyclohexanedimethanol, trans-
  • trans-1,2-Cyclohexanedimethanol
  • trans-1,2-Bis(hydroxymethyl)cyclohexane
  • (1R,2R)-Rel-1,2-Cyclohexanedimethanol

Work with Rel-(1R,2R)-1,2-Cyclohexanedimethanol

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 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.

cis-1,2-Cyclohexanedimethanol15753-50-1Diastereomer Rel-(1R,2R)-1,2-Cyclohexanedimethanol65376-05-8

Similar compounds

Cyclopentanemethanol3637-61-453 % similar (S)-2-Amino-2-cyclohexyl-ethanol845714-30-952 % similar Cyclohexylmethanol100-49-250 % similar Lupinine486-70-450 % similar cis-Decalin493-01-650 % similar trans-Decalin493-02-750 % similar Decalin91-17-850 % similar Bicyclohexyl92-51-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9

Elsewhere

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