trans-4-Octene

C₈H₁₆CAS 14850-23-8112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.7165 g/mL (at 20 °C)
Melting point: −93.8 °C
Boiling point: 122.3 °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 airways90.9% 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, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

14850-23-8

SMILES

CCC/C=C/CCC

InChIKey

IRUCBBFNLDIMIK-BQYQJAHWSA-N

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+

Weigh it out

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

Names and synonyms

10 names

4-Octene, (4E)-
4-Octene, (E)-
4-Octene, trans-
(4E)-4-Octene
trans-n-4-Octene
(E)-4-Octene
δ-trans-Octene
trans-1,2-Dipropylethylene
trans-1,2-Dipropylethene
NSC 73940

Work with trans-4-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.

cis-4-Octene7642-15-1Stereo not defined

Similar compounds

trans-3-Heptene14686-14-773 % similar 4-Nonene2198-23-473 % similar cis-3-Heptene7642-10-673 % similar trans-2-Hexene4050-45-767 % similar Hex-2-ene592-43-867 % similar cis-2-Hexen-1-ol928-94-965 % similar 2-Hexen-1-ol928-95-065 % similar (5E)-5-Decene7433-56-960 % 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 2-Octene111-67-1 2-Octene13389-42-9 trans-3-Octene14919-01-8 2-Methyl-1-heptene15870-10-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook