13-Octadecenoic acid, methyl ester
Basic information
- CAS
42199-38-2- Standard SMILES
CCCCC=CCCCCCCCCCCCC(=O)OC- InChIKey
OPLQDSJPOHPOSZ-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- 13-Octadecenoic acid, methyl ester
- IUPAC
- methyl octadec-13-enoate
- English name
- trans-13-Octadecenoic methyl ester
- Molecular formula
- C19H36O2
- Molecular weight
- 296.49
Names & synonyms
42199-38-2DTXSID2033756713-Octadecenoic acid, methyl esterRefChem:236525DTXCID10288655OPLQDSJPOHPOSZ-VOTSOKGWSA-NMETHYL OCTADEC-13-ENOATE56554-47-3methyl 13-octadecenoateMethyl (Z)-13-OctadecenoateSCHEMBL2824847713058-55-4
Show more names
Methyl (13E)-13-Octadecenoatetrans-13-Octadecenoic methyl ester13-Octadecenoic acid, methyl ester, (13E)-
Database identifiers
- CAS
42199-38-2- PubChem CID
- 543418
- DTXSID
DTXSID20337567
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- storage temp.
- 20 °C · −20°C
Chemistry & industry
Applications
UsesMethyl (13E)-13-Octadecenoate could be a useful antimycobacterial and antioxidant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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