Basic information
- CAS
63979-75-9- Standard SMILES
CCCCCCCCOP(=O)(C=Cc1ccccc1)OCCCCCCCC- InChIKey
QJBHYQLPZLPAPU-UHFFFAOYSA-N- Molecular formula
- C24H41O3P
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.27933216
Names & identifiers
- Preferred name
- Phosphonic acid, (2-phenylethenyl)-, dioctyl ester
- IUPAC
- 2-dioctoxyphosphorylethenylbenzene
Names & synonyms
NSC108725Phosphonic acid, (2-phenylethenyl)-, dioctyl ester2-dioctoxyphosphorylvinylbenzeneSCHEMBL1296069Dioctyl 2-phenylvinylphosphonate
Database identifiers
- CAS
63979-75-9- PubChem CID
- 98339
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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