trans-3-Hexenoic acid

C₆H₁₀O₂CAS 1577-18-0114.14 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
Melting point: 12 °C
Boiling point: 106.5–108 °C (at 13 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

1577-18-0

SMILES

CC/C=C/CC(=O)O

InChIKey

XXHDAWYDNSXJQM-ONEGZZNKSA-N

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+

Weigh it out

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

Names and synonyms

7 names

3-Hexenoic acid, (3E)-
3-Hexenoic acid, (E)-
(3E)-3-Hexenoic acid
(E)-3-Hexenoic acid
3(E)-Hexenoic acid
(3E)-Hex-3-enoic acid
(E)-Hex-3-enoic acid

Work with trans-3-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

3-Hexenedioic acid4436-74-275 % similar 4,7,10,13,16,19-Docosahexaenoic acid2091-24-959 % similar Docosahexaenoic acid6217-54-559 % similar Eicosapentaenoic acid10417-94-455 % similar Glutaconic acid1724-02-352 % similar trans-2-Pentenoic acid13991-37-248 % similar Ethyl 3-hexenoate2396-83-047 % similar 3-Butenoic acid625-38-746 % 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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