trans-2-Hexenoic acid

C₆H₁₀O₂CAS 13419-69-7114.14 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Density: 0.9469 g/mL (at 20 °C)
Melting point: 30–32 °C
Boiling point: 98–102 °C (at 8 Torr)
logP: 1.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

13419-69-7

SMILES

CCC/C=C/C(=O)O

InChIKey

NIONDZDPPYHYKY-SNAWJCMRSA-N

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+

Weigh it out

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

Names and synonyms

4 names

2-Hexenoic acid, (2E)-
2-Hexenoic acid, (E)-
(2E)-2-Hexenoic acid
(E)-2-Hexenoic acid

Work with trans-2-Hexenoic 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-Octenoic acid1871-67-674 % similar trans-2-Decenoic acid334-49-671 % similar 2-Nonenoic acid3760-11-071 % similar trans-2-Pentenoic acid13991-37-262 % similar 3-Hepten-2-one1119-44-454 % similar Methyl 2-hexenoate2396-77-253 % similar Queen bee acid14113-05-452 % similar 10-Hydroxy-2-decenoic acid765-01-552 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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