3-dimethylaminopropyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Basic information
- CAS
90053-68-2- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OCCCN(C)C- InChIKey
DUMPJGWWNNTYCN-RSKMIKRQSA-N- Molecular formula
- C22H39NO2
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.29807949
Names & identifiers
- Preferred name
- 3-dimethylaminopropyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
- IUPAC
- 3-(dimethylamino)propyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Names & synonyms
3-dimethylaminopropyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate3-N,N-Dimethylaminopropyl farnesyl acetate90053-68-2
Database identifiers
- CAS
90053-68-2- PubChem CID
- 6442974
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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