Petroselinic acid
Properties
- Molecular formula
- C18H34O2
- Molar mass
- 282.47 g/mol
- Exact mass
- 282.2559 Da
- Density
- 0.8681 g/mL (at 40 °C)
- Melting point
- 29.8 °C
- Boiling point
- 237.5 °C
- logP
- 6.11Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 15
Identifiers
CAS number
593-39-5SMILES
CCCCCCCCCCC/C=CCCCCC(=O)OInChIKey
CNVZJPUDSLNTQU-SEYXRHQNSA-NInChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 6-Octadecenoic acid, (6Z)-
- 6-Octadecenoic acid, (Z)-
- (6Z)-6-Octadecenoic acid
- cis-δ6-Octadecenoic acid
- cis-6-Octadecenoic acid
- δ6-cis-Octadecenoic acid
- (Z)-6-Octadecenoic acid
- cis-Petroselinic acid
- 6(Z)-Octadecenoic acid
- Petroselic acid
- (6Z)-Octadecenoic acid
Work with Petroselinic 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
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