Basic information
- CAS
24630-66-8- Standard SMILES
CCCCOP(=O)(CO)OCCCC- InChIKey
WNLPQGMKIVUYEB-UHFFFAOYSA-N- Molecular formula
- C9H21O4P
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.11774614
Names & identifiers
- Preferred name
- Dibutyl (hydroxymethyl)phosphonate
- IUPAC
- dibutoxyphosphorylmethanol
- English name
- Hydroxymethylphosphonic acid dibutyl ester
- Molecular formula
- C9H21O4P
- Molecular weight
- 224.23
Names & synonyms
24630-66-8dibutyl (hydroxymethyl)phosphonateNSC46365Phosphonic acid, P-(hydroxymethyl)-, dibutyl esterSCHEMBL2479030DTXSID50947557NSC-46365Hydroxymethylphosphonic acid dibutyl ester
Database identifiers
- CAS
24630-66-8- PubChem CID
- 240271
- DTXSID
DTXSID50947557- Nikkaji
- J21.060I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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