5,13-Docosadienoic acid
Basic information
- CAS
182305-58-4- Standard SMILES
CCCCCCCC/C=C/CCCCCC/C=C/CCCC(=O)O- InChIKey
HVHVBKMJDJLCEQ-RKHHRFTBSA-N- Molecular formula
- C22H40O2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.30283051
Names & identifiers
- Preferred name
- 5,13-Docosadienoic acid
- IUPAC
- (5E,13E)-docosa-5,13-dienoic acid
Names & synonyms
5,13-docosadienoic acid2CP8M5C3TA(5E,13E)-docosa-5,13-dienoic acidEthyl (E,E)-5,13-docosadienoate5,13-Docosadienoic acid, (5E,13E)C22:2n-9,17182305-58-4RefChem:198805UNII-2CP8M5C3TASCHEMBL243376SCHEMBL11801415LMFA01030131
Database identifiers
- CAS
182305-58-4- PubChem CID
- 5282806
- UNII
- 2CP8M5C3TA
- Nikkaji
- J377.292F
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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