Basic information
- Standard SMILES
CCCCCCCCCCCC#Cc1ccccc1CC(C(=O)OCC)C(=O)OCC- InChIKey
QHXJLZFNNLXLEB-UHFFFAOYSA-N- Molecular formula
- C27H40O4
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.29265975
Names & identifiers
- Preferred name
- Diethyl 2-[2-(1-tridecynyl)phenyl]methylpropan-1,3-dioate
- IUPAC
- diethyl 2-[(2-tridec-1-ynylphenyl)methyl]propanedioate
Names & synonyms
SCHEMBL10756475QHXJLZFNNLXLEB-UHFFFAOYSA-NDiethyl 2-[2-(1-tridecynyl)phenyl]methylpropan-1,3-dioate
Database identifiers
- PubChem CID
- 20165388
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 538
Related reactions
2 records
Compound notes
Loading…