Basic information
- CAS
1523-69-9- Standard SMILES
CCOP(=O)(OCC)C(=O)C(C)C- InChIKey
BVJNLROKHOYRDH-UHFFFAOYSA-N- Molecular formula
- C8H17O4P
- Average molar mass
- 208.19 g/mol
- Monoisotopic mass
- 208.08644602
Names & identifiers
- Preferred name
- Phosphonic acid, (2-methyl-1-oxopropyl)-, diethyl ester
- IUPAC
- 1-diethoxyphosphoryl-2-methylpropan-1-one
Names & synonyms
1523-69-9Phosphonic acid, (2-methyl-1-oxopropyl)-, diethyl esterDTXSID50372865RefChem:370455DTXCID50323897diethyl isobutyrylphosphonatediethyl (2-methylpropanoyl)phosphonateSCHEMBL2984366AKOS003599779
Database identifiers
- CAS
1523-69-9- PubChem CID
- 2752001
- DTXSID
DTXSID50372865- Nikkaji
- J1.133.285D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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