trans-2-Octenoic acid

C₈H₁₄O₂CAS 1871-67-6142.20 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₈H₁₄O₂
Molar mass: 142.20 g/mol
Exact mass: 142.0994 Da
Density: 0.934 g/mL (at 25 °C)
Melting point: 2 °C
Boiling point: 95–100 °C (at 0.4 Torr)
logP: 2.21Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

1871-67-6

SMILES

CCCCC/C=C/C(=O)O

InChIKey

CWMPPVPFLSZGCY-VOTSOKGWSA-N

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

Weigh it out

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

Names and synonyms

6 names

2-Octenoic acid, (2E)-
2-Octenoic acid, (E)-
(2E)-2-Octenoic acid
(E)-Oct-2-enoic acid
(2E)-Oct-2-enoic acid
(E)-2-Octenoic acid

Work with trans-2-Octenoic acid

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-Decenoic acid334-49-696 % similar 2-Nonenoic acid3760-11-096 % similar 2-Hexenoic acid1191-04-474 % similar trans-2-Hexenoic acid13419-69-774 % similar Queen bee acid14113-05-461 % similar 10-Hydroxy-2-decenoic acid765-01-561 % similar 3-Nonen-2-one14309-57-058 % similar Traumatic acid6402-36-458 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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