Basic information
- CAS
16965-90-5- Standard SMILES
CCOP(=O)(CC(C)C(=O)CC)OCC- InChIKey
OGMGGZDSGNTUOZ-UHFFFAOYSA-N- Molecular formula
- C10H21O4P
- Average molar mass
- 236.24 g/mol
- Monoisotopic mass
- 236.11774614
Names & identifiers
- Preferred name
- Diethyl (2-methyl-3-oxopentyl)phosphonate
- IUPAC
- 1-diethoxyphosphoryl-2-methylpentan-3-one
Names & synonyms
DIETHYL (2-METHYL-3-OXOPENTYL)PHOSPHONATE16965-90-5SCHEMBL7619464DTXSID00937660
Database identifiers
- CAS
16965-90-5- PubChem CID
- 28165
- DTXSID
DTXSID00937660- Nikkaji
- J1.564.906B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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