Basic information
- Standard SMILES
CC(=O)C(CC=C(C)CCC=C(C)CCC=C(C)C)P(=O)(O)O- InChIKey
QBZCZNSPTBUGRL-UHFFFAOYSA-N- Molecular formula
- C18H31O4P
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.19599646
Names & identifiers
- Preferred name
- [1-Acetyl-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
- IUPAC
- (6,10,14-trimethyl-2-oxopentadeca-5,9,13-trien-3-yl)phosphonic acid
Names & synonyms
SCHEMBL9417669QBZCZNSPTBUGRL-UHFFFAOYSA-N[1-Acetyl-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
Database identifiers
- PubChem CID
- 54220107
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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