Phosphonic acid, (2-hydroxypentyl)-, diethyl ester
Basic information
- CAS
128589-10-6- Standard SMILES
CCCC(O)CP(=O)(OCC)OCC- InChIKey
DIMAZPVJGJKFMN-UHFFFAOYSA-N- Molecular formula
- C9H21O4P
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.11774614
Names & identifiers
- Preferred name
- Phosphonic acid, (2-hydroxypentyl)-, diethyl ester
- IUPAC
- 1-diethoxyphosphorylpentan-2-ol
Names & synonyms
128589-10-6Phosphonic acid, (2-hydroxypentyl)-, diethyl esterdiethyl (2-hydroxypentyl)phosphonateDTXSID40446100
Database identifiers
- CAS
128589-10-6- PubChem CID
- 10857089
- DTXSID
DTXSID40446100- Nikkaji
- J721.614I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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