12,15-Octadecadienoic acid methyl ester
Basic information
- Standard SMILES
CCC=CCC=CCCCCCCCCCCC(=O)OC- InChIKey
SQXLGHNKHZNVRT-UHFFFAOYSA-N- Molecular formula
- C19H34O2
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.25588032
Names & identifiers
- Preferred name
- 12,15-Octadecadienoic acid methyl ester
- IUPAC
- methyl octadeca-12,15-dienoate
Names & synonyms
12,15-Octadecadienoic acid methyl ester57156-97-5DB-259338methyl 12,15-octadecadienoateSCHEMBL25216159DTXSID201363631
Database identifiers
- PubChem CID
- 548866
- DTXSID
DTXSID201363631
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
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Related reactions
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Compound notes
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