trans-VACCENIC ACID METHYL ESTER
Basic information
- CAS
52380-33-3- Standard SMILES
CCCCCCC=CCCCCCCCCCC(=O)OC- InChIKey
PVVODBCDJBGMJL-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- trans-VACCENIC ACID METHYL ESTER
- IUPAC
- methyl octadec-11-enoate
Names & synonyms
trans-VACCENIC ACID METHYL ESTER52380-33-3MFCD0001045711-Octadecenoate methyl esterSCHEMBL12351111-octadecenoic acid methyl esterDTXSID80137754911-cis -Octadecenoic acid methyl esterDB-044832DB-054036
Database identifiers
- CAS
52380-33-3- PubChem CID
- 74738
- DTXSID
DTXSID801377549
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
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Related reactions
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Compound notes
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