6,9,12-Octadecatrienoic acid, methyl ester
Basic information
- CAS
132029-21-1- Standard SMILES
CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OC- InChIKey
JFRWATCOFCPIBM-SPOHZTNBSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Names & identifiers
- Preferred name
- 6,9,12-Octadecatrienoic acid, methyl ester
- IUPAC
- methyl (6E,9E,12E)-octadeca-6,9,12-trienoate
Names & synonyms
6,9,12-Octadecatrienoic acid, methyl esterLN4NQN66K8methyl 6,9,12-octadecatrienoateMethyl-6,9,12-octadecatrienoateMethyl (6E,9E,12E)-octatrienoateMethyl-(6E,9E,12E)-octadeca-6,9,12-trienoate132029-21-16,9,12-Octadecatrienoic acid, methyl ester, (6E,9E,12E)-RefChem:199033JFRWATCOFCPIBM-SPOHZTNBSA-NUNII-LN4NQN66K8(6Z,9Z,12Z)-Methyl octadeca-6,9,12-trienoate
Show more names
SCHEMBL23143236AKOS0159022339,12-octadecatrienoic acid methyl esterMethyl (6E,9E,12E)-6,9,12-octadecatrienoateMethyl (6E,9E,12E)-6,9,12-octadecatrienoate #
Database identifiers
- CAS
132029-21-1- PubChem CID
- 5362805
- UNII
- LN4NQN66K8
- Nikkaji
- J110.803D
Properties
Computed structural properties
- XLogP
- 6.2
- 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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