Basic information
- Standard SMILES
CCCCCCCCC(CCCCCCCCC(=O)OC)P(=O)(O)CC(C)CC(C)(C)C- InChIKey
AJURCHWKNLDIPC-UHFFFAOYSA-N- Molecular formula
- C27H55O4P
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.38379723
Names & identifiers
- Preferred name
- 10-[Hydroxy-(2,4,4-trimethyl-pentyl)-phosphinoyl]-octadecanoic acid methyl ester
- IUPAC
- (18-methoxy-18-oxooctadecan-9-yl)-(2,4,4-trimethylpentyl)phosphinic acid
Names & synonyms
SCHEMBL98630AJURCHWKNLDIPC-UHFFFAOYSA-N10-[hydroxy-(2,4,4-trimethyl-pentyl)-phosphinoyl]-octadecanoic acid methyl ester
Database identifiers
- PubChem CID
- 57909100
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 512
Related reactions
3 records
Compound notes
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