Methyl linolenate
Properties
- Molecular formula
- C19H32O2
- Molar mass
- 292.46 g/mol
- Exact mass
- 292.2402 Da
- Density
- 0.8982 g/mL (at 20 °C)
- Melting point
- −57 °C
- Boiling point
- 182 °C
- logP
- 5.75Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 13
Identifiers
CAS number
301-00-8SMILES
CC/C=CC/C=CC/C=CCCCCCCCC(=O)OCInChIKey
DVWSXZIHSUZZKJ-YSTUJMKBSA-NInChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
- Linolenic acid, methyl ester
- 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-
- Methyl all-cis-9,12,15-octadecatrienoate
- α-Linolenic acid methyl ester
- Methyl (9Z,12Z,15Z)-octadecatrienoate
- Methyl α-linolenate
- Methyl cis,cis,cis-octadeca-9,12,15-trienoate
- 9Z,12Z,15Z-Octadecatrienoic acid methyl ester
- (Z,Z,Z)-9,12,15-Octadecatrienoic acid methyl ester
- Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
- Methyl (Z,Z,Z)-9,12,15-octadecatrienoate
Work with Methyl linolenate
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
Methyl linoleate112-63-077 % similar
Ethyl linolenate1191-41-970 % similar
Methyl oleate112-62-969 % similar
Methyl palmitoleate1120-25-869 % similar
Methyl erucate1120-34-969 % similar
Methyl elaidate1937-62-869 % similar
Ethyl eicosapentaenoate86227-47-663 % similar
Dimethyl sebacate106-79-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds