Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC(=O)c1ccccc1- InChIKey
CTWDNVIVZCNVOC-UHFFFAOYSA-N- Molecular formula
- C42H72O4
- Average molar mass
- 641 g/mol
Names & identifiers
- Preferred name
- Phenacyl 3-hydroxy-2-n-tetradecyl-11-icosenoate
- IUPAC
- phenacyl 3-hydroxy-2-tetradecylicos-11-enoate
Names & synonyms
SCHEMBL8897626CTWDNVIVZCNVOC-UHFFFAOYSA-Nphenacyl 3-hydroxy-2-n-tetradecyl-11-icosenoate
Database identifiers
- PubChem CID
- 53739963
Properties
Computed structural properties
- XLogP
- 16.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 34
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 710
Related reactions
2 records
Compound notes
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