Basic information
- Standard SMILES
CCCCCCCCCCCC#Cc1ccccc1/C=C(\C(=O)OCC)P(=O)(O)O- InChIKey
COXJYWJZQFKKRD-BSYVCWPDSA-N- Molecular formula
- C24H35O5P
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- Ethyl E-2-phosphono-3-[2-(1-tridecynyl)phenyl]propenoate
- IUPAC
- [(E)-3-ethoxy-3-oxo-1-(2-tridec-1-ynylphenyl)prop-1-en-2-yl]phosphonic acid
Names & synonyms
SCHEMBL8846267COXJYWJZQFKKRD-BSYVCWPDSA-NEthyl E-2-phosphono-3-[2-(1-tridecynyl)phenyl]propenoate
Database identifiers
- PubChem CID
- 67708256
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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