2-Octene

C₈H₁₆CAS 13389-42-9112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.741 g/mL (at 0 °C)
Melting point: −87.7 °C
Boiling point: 125 °C
logP: 3.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers
H400 Very toxic to aquatic life90.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.8% of notifiers

Aggregated from 130 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

13389-42-9

SMILES

C/C=C/CCCCC

InChIKey

ILPBINAXDRFYPL-HWKANZROSA-N

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+

Weigh it out

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

Names and synonyms

8 names

trans-2-Octene
2-Octene, (2E)-
2-Octene, (E)-
2-Octene, trans-
(2E)-2-Octene
(E)-2-Octene
β-trans-Octene
NSC 97522

Work with 2-Octene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Octene111-67-1Stereo not defined

Similar compounds

(2E)-2-Nonene6434-78-294 % similar 2-Heptene592-77-883 % similar cis-2-Heptene6443-92-183 % similar (Z)-9-Tricosene27519-02-468 % similar trans-2-Hexene4050-45-763 % similar 2-Hexene592-43-863 % similar (3E)-3-Nonene20063-92-759 % similar (5E)-5-Decene7433-56-958 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8 2-Methyl-1-heptene15870-10-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook