Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
TYELDTDLXFVFGB-UHFFFAOYSA-N- Molecular formula
- C25H41NO4
- Average molar mass
- 419.6 g/mol
Names & identifiers
- Preferred name
- Octadecyl 4-nitrobenzoate
- IUPAC
- octadecyl 4-nitrobenzoate
Names & synonyms
Octadecyl 4-nitrobenzoateSCHEMBL1265887TYELDTDLXFVFGB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11200948
- Nikkaji
- J2.157.907F
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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