5-Hexen-1-ol

C₆H₁₂OCAS 821-41-0100.16 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.8453 g/mL (at 20 °C)
Boiling point: 155.5–156 °C (at 718 Torr)
logP: 1.33Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor36.4% of notifiers
H314 Causes severe skin burns and eye damage54.5% of notifiers
H318 Causes serious eye damage31.6% of notifiers

Aggregated from 209 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

821-41-0

SMILES

C=CCCCCO

InChIKey

UIZVMOZAXAMASY-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2

Weigh it out

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

Names and synonyms

3 names

1-Hexen-6-ol
6-Hydroxy-1-hexene
5-Hexene-1-ol

Work with 5-Hexen-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

10-Undecen-1-ol112-43-694 % similar 9-Decen-1-ol13019-22-294 % similar 4-Penten-1-ol821-09-083 % similar 1,7-Octadiene3710-30-365 % similar 3-Buten-1-ol627-27-063 % similar 1,9-Decadiene1647-16-161 % similar 1,13-Tetradecadiene21964-49-861 % similar 1,8-Nonadiene4900-30-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook