Basic information
- CAS
72304-81-5- Standard SMILES
CCCCOP(=O)(OCCCC)C(=O)OC- InChIKey
HEGJQRZSAFDZAW-UHFFFAOYSA-N- Molecular formula
- C10H21O5P
- Average molar mass
- 252.24 g/mol
- Monoisotopic mass
- 252.1126604
Names & identifiers
- Preferred name
- Phosphinecarboxylic acid, dibutoxy-, methyl ester, oxide
- IUPAC
- methyl dibutoxyphosphorylformate
Names & synonyms
Phosphinecarboxylic acid, dibutoxy-, methyl ester, oxide72304-81-5CHEMBL90437methyl dibutoxyphosphinecarboxylate oxidemethyl dibutoxyphosphorylformateSCHEMBL2240082DTXSID70222636HEGJQRZSAFDZAW-UHFFFAOYSA-Ndi-n-butyl methoxycarbonylphosphonateBDBM50027569Methyl dibutoxy(oxo)-lambda~5~-phosphanecarboxylate
Database identifiers
- CAS
72304-81-5- PubChem CID
- 512112
- DTXSID
DTXSID70222636- ChEMBL
CHEMBL90437
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
3 records
Compound notes
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