Basic information
- CAS
6156-13-4- Standard SMILES
CCCCCCCCOP(=O)(CC)OCCCCCCCC- InChIKey
QCLSSHCNJSKZPQ-UHFFFAOYSA-N- Molecular formula
- C18H39O3P
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.2636821
Names & identifiers
- Preferred name
- Dioctyl ethylphosphonate
- IUPAC
- 1-[ethyl(octoxy)phosphoryl]oxyoctane
Names & synonyms
Dioctyl ethylphosphonate6156-13-4Dioctyl ethylphosphonate #SCHEMBL4443617SCHEMBL11831772DTXSID001031458Ethylphosphonic acid, dioctyl ester
Database identifiers
- CAS
6156-13-4- PubChem CID
- 574233
- DTXSID
DTXSID001031458- Nikkaji
- J191.455C
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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