13-Oxo-9,11-octadecadienoic acid
Basic information
- CAS
31385-09-8- Standard SMILES
CCCCCC(=O)C=CC=CCCCCCCCC(=O)O- InChIKey
JHXAZBBVQSRKJR-UHFFFAOYSA-N- Molecular formula
- C18H30O3
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.21949481
Overview
13-oxo-9,11-octadecadienoic acid is an oxooctadecadienoic acid that is 9,11-octadecadienoic acid in which the oxo group is located at position 13. It is an enone and an oxooctadecadienoic acid.
Names & identifiers
- Preferred name
- 13-Oxo-9,11-octadecadienoic acid
- IUPAC
- 13-oxooctadeca-9,11-dienoic acid
Names & synonyms
31385-09-813-Oxo-9,11-octadecadienoic acidCHEBI:136531DTXSID4090433613-Keto-9,11,-octadecadienoic acid13-Kodda13-Oxooctadecadienoic acidRefChem:908120DTXCID60133349213-oxooctadeca-9,11-dienoic acid13-ketoODE13-oxo-9Z,11E-octadecadienoicacid
Show more names
13-keto-9,11-ODESCHEMBL91876313-keto-9,11-octadecadienoic acidPD046392
Database identifiers
- CAS
31385-09-8- PubChem CID
- 160205
- DTXSID
DTXSID40904336- ChEBI
CHEBI:136531
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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