(E)-2-Octen-1-ol

C₈H₁₆OCAS 18409-17-1128.21 g/mol

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Properties

Molecular formula: C₈H₁₆O
Molar mass: 128.21 g/mol
Exact mass: 128.1201 Da
Density: 0.8435 g/mL (at 20 °C)
Boiling point: 70.5–70.7 °C (at 10 Torr)
logP: 2.12Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation22.3% of notifiers
H319 Causes serious eye irritation22.3% of notifiers
H335 May cause respiratory irritation22.3% of notifiers

Aggregated from 179 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18409-17-1

SMILES

CCCCC/C=C/CO

InChIKey

AYQPVPFZWIQERS-VOTSOKGWSA-N

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+

Weigh it out

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

Names and synonyms

8 names

2-Octen-1-ol, (2E)-
2-Octen-1-ol, (E)-
(2E)-2-Octen-1-ol
trans-2-Octenol
trans-2-Octen-1-ol
n-Oct-trans-2-en-1-ol
(E)-2-Octenol
(2E)-Oct-2-en-1-ol

Work with (E)-2-Octen-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

trans-2-Nonen-1-ol31502-14-495 % similar 2-Heptenol33467-76-486 % similar 2,4-Decadien-1-ol14507-02-975 % similar cis-2-Hexen-1-ol928-94-968 % similar 2-Hexen-1-ol928-95-068 % similar (Z)-3-Nonen-1-ol10340-23-567 % similar (Z)-9-Tricosene27519-02-467 % similar cis-4-Decenol57074-37-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 1-Ethylcyclohexanol1940-18-7

Elsewhere

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