Basic information
- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCOC(=O)CCl- InChIKey
SNPIXHALJNCKOI-KTKRTIGZSA-N- Molecular formula
- C24H45ClO2
- Average molar mass
- 401.1 g/mol
Names & identifiers
- Preferred name
- Erucyl 2-chloroacetate
- IUPAC
- [(Z)-docos-13-enyl] 2-chloroacetate
Names & synonyms
erucyl 2-chloroacetateSCHEMBL3280977SNPIXHALJNCKOI-KTKRTIGZSA-N
Database identifiers
- PubChem CID
- 86592452
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 328
Related reactions
1 records
Compound notes
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