9,11,13-Octadecatrienoic acid, methyl ester
Basic information
- CAS
21850-57-7- Standard SMILES
CCCCC=CC=CC=CCCCCCCCC(=O)OC- InChIKey
KOJYENXGDXRGDK-UHFFFAOYSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
methyl octadeca-9,11,13-trienoate has been reported in Pleurocybella porrigens and Chrysobalanus icaco with data available.
Names & identifiers
- Preferred name
- 9,11,13-Octadecatrienoic acid, methyl ester
- IUPAC
- methyl octadeca-9,11,13-trienoate
Names & synonyms
9,11,13-Octadecatrienoic acid, methyl ester21850-57-7RefChem:1075349(Z),11(E),13(Z)-Octadecatrienoic Acid methyl esterSCHEMBL11316639DTXSID001259983PD049206METHYL OCTADECA-9,11,13-TRIENOATENS00018683
Database identifiers
- CAS
21850-57-7- PubChem CID
- 27746
- DTXSID
DTXSID001259983
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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