trans-4-Methylcyclohexanol
Properties
- Molecular formula
- C7H14O
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1045 Da
- Density
- 0.913 g/mL (at 20 °C)
- Melting point
- 80–80.5 °C
- Boiling point
- 174 °C
- logP
- 1.56Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
- Stereocentres
- r, rin SMILES atom order
Identifiers
CAS number
7731-29-5SMILES
C[C@H]1CC[C@H](O)CC1InChIKey
MQWCXKGKQLNYQG-LJGSYFOKNA-NInChI
InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Cyclohexanol, 4-methyl-, trans-
- trans-4-Methylcyclohexan-1-ol
- 4-trans-Methylcyclohexanol
Work with trans-4-Methylcyclohexanol
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
4-Methylcyclohexanol589-91-3100 % similar
cis-4-Methylcyclohexanol7731-28-4100 % similar
Cyclopropanol16545-68-960 % similar
1,4-Cyclohexanediol556-48-960 % similar
1,4-Dimethylcyclohexane589-90-260 % similar
cis-1,4-Dimethylcyclohexane624-29-360 % similar
trans-1,4-Cyclohexanediol6995-79-560 % similar
4-Isopropylcyclohexanol4621-04-952 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds