Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCOC(CCCCCC)CCCCCCCCCCC(=O)OCC- InChIKey
ZRVCCVHDUXQGAJ-UHFFFAOYSA-N- Molecular formula
- C36H72O3
- Average molar mass
- 553 g/mol
Names & identifiers
- Preferred name
- Ethyl 12-palmityloxy-stearate
- IUPAC
- ethyl 12-hexadecoxyoctadecanoate
Names & synonyms
ethyl 12-palmityloxy-stearateSCHEMBL4207479ZRVCCVHDUXQGAJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86609679
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 34
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 464
Related reactions
1 records
Compound notes
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