Bis(3-methylbutyl) phenyl phosphate
Basic information
- CAS
40585-79-3- Standard SMILES
CC(C)CCOP(=O)(OCCC(C)C)Oc1ccccc1- InChIKey
RUYOOJGNUKMFRT-UHFFFAOYSA-N- Molecular formula
- C16H27O4P
- Average molar mass
- 314.36 g/mol
- Monoisotopic mass
- 314.16469634
Names & identifiers
- Preferred name
- Bis(3-methylbutyl) phenyl phosphate
- IUPAC
- bis(3-methylbutyl) phenyl phosphate
Names & synonyms
Bis(3-methylbutyl) phenyl phosphate40585-79-3SCHEMBL5485055DTXSID70621488
Database identifiers
- CAS
40585-79-3- PubChem CID
- 22013322
- DTXSID
DTXSID70621488
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
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Related reactions
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Compound notes
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