Vaccenic acid

C₁₈H₃₄O₂CAS 693-72-1282.47 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₈H₃₄O₂
Molar mass: 282.47 g/mol
Exact mass: 282.2559 Da
Melting point: 44 °C
Boiling point: 125 °C (at 0.1 Torr)
logP: 6.11Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 15
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

693-72-1

SMILES

CCCCCC/C=C/CCCCCCCCCC(=O)O

InChIKey

UWHZIFQPPBDJPM-BQYQJAHWSA-N

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+

Weigh it out

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

Names and synonyms

10 names

11-Octadecenoic acid, (11E)-
11-Octadecenoic acid, (E)-
(11E)-11-Octadecenoic acid
trans-11-Octadecenoic acid
trans-Vaccenic acid
(E)-11-Octadecenoic acid
trans-δ11-Octadecenoic acid
11-trans-Octadecenoic acid
11(E)-Octadecenoic acid
(E)-Octadec-11-enoic acid

Work with Vaccenic 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

Erucic acid112-86-7100 % similar Palmitoleic acid373-49-9100 % similar 9-Eicosenoic acid506-31-0100 % similar Brassidic acid506-33-2100 % similar Nervonic acid506-37-6100 % similar 11-Eicosenoic acid5561-99-9100 % similar 11,14-Eicosadienoic acid2091-39-690 % similar Zirconium oleate42040-79-990 % similar

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

Same formula

Elaidic acid112-79-8 Oleic acid112-80-1 (Z)-11-Hexadecenyl acetate34010-21-4 Petroselinic acid593-39-5

Elsewhere

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