Butyl 12-acetoxyoctadecanoate
Basic information
- CAS
5417-31-2- Standard SMILES
CCCCCCC(CCCCCCCCCCC(=O)OCCCC)OC(C)=O- InChIKey
RZCIMBXDARLUTE-UHFFFAOYSA-N- Molecular formula
- C24H46O4
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.33960994
Names & identifiers
- Preferred name
- Butyl 12-acetoxyoctadecanoate
- IUPAC
- butyl 12-acetyloxyoctadecanoate
Names & synonyms
5417-31-2butyl 12-acetoxyoctadecanoateParicin 6butyl 12-acetoxystearateSCHEMBL462043DTXSID20278446NSC7402NSC 7402NSC-740212-Hydroxyoctadecanoic acid, acetateOctadecanoic acid, butyl ester, acetateBUTYL 12-(ACETYLOXY)OCTADECANOATE
Database identifiers
- CAS
5417-31-2- PubChem CID
- 222097
- DTXSID
DTXSID20278446- EC Number
- 611-105-1
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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