Farnesyl hexanoate
Basic information
- CAS
51532-28-6- Standard SMILES
CCCCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C- InChIKey
RLRVQTPROCYANT-UHFFFAOYSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Names & identifiers
- Preferred name
- Farnesyl hexanoate
- IUPAC
- 3,7,11-trimethyldodeca-2,6,10-trienyl hexanoate
Names & synonyms
farnesyl hexanoate51532-28-6DTXSID00336134RefChem:345401DTXCID50287223SCHEMBL35025563,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL HEXANOATE
Database identifiers
- CAS
51532-28-6- PubChem CID
- 529262
- DTXSID
DTXSID00336134
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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