trans-1,4-Cyclohexanedimethanol

C8H16O2CAS 3236-48-4144.21 g/mol

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HOOH
Alcohol

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Melting point
100–330 °C
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
3236-48-4
SMILES
OC[C@H]1CC[C@H](CO)CC1
InChIKey
YIMQCDZDWXUDCA-ZKCHVHJHNA-N
InChI
InChI=1/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2/t7-,8-

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Names and synonyms

4 names
  • 1,4-Cyclohexanedimethanol, trans-
  • trans-1,4-Bis(hydroxymethyl)cyclohexane
  • (trans-4-Hydroxymethylcyclohexyl)methanol
  • (trans-Cyclohexane-1,4-diyl)dimethanol

Work with trans-1,4-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.

Cyclohexanedimethanol105-08-8Stereo not defined

Similar compounds

Cyclopropanemethanol2516-33-8100 % similar Cyclopentanemethanol3637-61-471 % similar Cyclobutanemethanol4415-82-171 % similar Cyclohexylmethanol100-49-267 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-367 % similar ((1s,4s)-4-Aminocyclohexyl)methanol1467-84-165 % similar (Tetrahydro-2H-pyran-4-yl)methanol14774-37-959 % similar 4-Piperidinemethanol6457-49-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 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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