9-Eicosenoic acid

C₂₀H₃₈O₂CAS 506-31-0310.52 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₂₀H₃₈O₂
Molar mass: 310.52 g/mol
Exact mass: 310.2872 Da
Melting point: 23 °C
Boiling point: 170–175 °C
logP: 6.89Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 17

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

506-31-0

SMILES

CCCCCCCCCCC=CCCCCCCCC(=O)O

InChIKey

LQJBNNIYVWPHFW-UHFFFAOYSA-N

InChI

InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)

Weigh it out

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

Work with 9-Eicosenoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Elaidic acid112-79-8100 % similar Oleic acid112-80-1100 % similar Erucic acid112-86-7100 % similar Palmitoleic acid373-49-9100 % similar Brassidic acid506-33-2100 % similar Nervonic acid506-37-6100 % similar Petroselinic acid593-39-5100 % similar Vaccenic acid693-72-1100 % similar

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

Same formula

Ethyl oleate111-62-6 Vinyl stearate111-63-7 11-Eicosenoic acid5561-99-9

Elsewhere

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