3,5-Dimethylcyclohexanol
Properties
- Molecular formula
- C8H16O
- Molar mass
- 128.21 g/mol
- Exact mass
- 128.1201 Da
- Density
- 0.8806 g/mL (at 38.9 °C)
- Melting point
- 11.6 °C
- Boiling point
- 187 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H227 Combustible liquid100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
5441-52-1SMILES
CC1CC(C)CC(O)C1InChIKey
WIYNOPYNRFPWNB-UHFFFAOYSA-NInChI
InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Cyclohexanol, 3,5-dimethyl-
- NSC 21130
- 3,5-Dimethylcyclohexan-1-ol
Work with 3,5-Dimethylcyclohexanol
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
2,6,8-Trimethyl-4-nonanol123-17-170 % similar
1,3,5-Trimethylcyclohexane1839-63-060 % similar
5-Methyl-3-heptanol18720-65-555 % similar
3-Methylcyclohexanol591-23-155 % similar
2,6-Dimethyl-4-heptanol108-82-753 % similar
1,3,5-Cyclohexanetriol2041-15-850 % similar
4-Methylcyclohexanol589-91-350 % similar
cis-4-Methylcyclohexanol7731-28-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.