Diheptyl ethylphosphonate
Basic information
- CAS
6163-81-1- Standard SMILES
CCCCCCCOP(=O)(CC)OCCCCCCC- InChIKey
RBPHHEPCSXTUGB-UHFFFAOYSA-N- Molecular formula
- C16H35O3P
- Average molar mass
- 306.42 g/mol
- Monoisotopic mass
- 306.23238197
Names & identifiers
- Preferred name
- Diheptyl ethylphosphonate
- IUPAC
- 1-[ethyl(heptoxy)phosphoryl]oxyheptane
Names & synonyms
Diheptyl ethylphosphonate6163-81-1Diheptyl ethylphosphonate #DTXSID10299822ethyl-phosphonic acid diheptyl esterEthylphosphonic acid, diheptyl esterNSC133036NSC-133036
Database identifiers
- CAS
6163-81-1- PubChem CID
- 280852
- DTXSID
DTXSID10299822- Nikkaji
- J192.700K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
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Compound notes
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