2-Cyclohexen-1-ol
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.15 g/mol
- Exact mass
- 98.0732 Da
- Density
- 1 g/mL (at 28 °C)
- Melting point
- 107–108 °C
- Boiling point
- 164 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
822-67-3SMILES
OC1C=CCCC1InChIKey
PQANGXXSEABURG-UHFFFAOYSA-NInChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Cyclohexen-3-ol
- 2-Cyclohexenol
- 3-Hydroxycyclohexene
- 1-Cyclohexen-3-ol
- 1-Hydroxy-2-cyclohexene
- (±)-2-Cyclohexen-1-ol
- 3-Hydroxy-1-cyclohexene
- NSC 64656
- 2-Cyclohexenyl alcohol
Work with 2-Cyclohexen-1-ol
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
3-Bromocyclohexene1521-51-348 % similar
2-Hydroxyadipaldehyde141-31-144 % similar
3-Methylcyclohexene591-48-042 % similar
4-Hydroxynonenal29343-52-038 % similar
4-Hydroxynonenal75899-68-238 % similar
1,3-Cyclooctadiene1700-10-335 % similar
1,3-Cyclooctadiene3806-59-535 % similar
Aldehyde115609-68-235 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.