(E)-10-[2-(7-carboxyheptyl)-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enoic acid
Basic information
- CAS
13482-09-2- Standard SMILES
CCCCCCC1C=CC(CCCCCCCC(=O)O)C(/C=C/CCCCCCCC(=O)O)C1CCCCCC- InChIKey
CIRMGZKUSBCWRL-LHLOQNFPSA-N- Molecular formula
- C36H64O4
- Average molar mass
- 560.9 g/mol
- Monoisotopic mass
- 560.48046052
Overview
See also: Dilinoleic acid (annotation moved to).
Names & identifiers
- Preferred name
- (E)-10-[2-(7-carboxyheptyl)-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enoic acid
- IUPAC
- (E)-10-[2-(7-carboxyheptyl)-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enoic acid
Names & synonyms
47818-40-613482-09-2SCHEMBL21884072NSC30202
Database identifiers
- CAS
13482-09-2- PubChem CID
- 5355249
- Nikkaji
- J1.543.663H
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 27
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 682
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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