Diethyl (5,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)phosphonate
Basic information
- CAS
41004-02-8- Standard SMILES
CCOP(=O)(OCC)C1N=COC1(C)C- InChIKey
JHFNNRIZCWIQPC-UHFFFAOYSA-N- Molecular formula
- C9H18NO4P
- Average molar mass
- 235.22 g/mol
- Monoisotopic mass
- 235.09734505
Names & identifiers
- Preferred name
- Diethyl (5,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)phosphonate
- IUPAC
- 4-diethoxyphosphoryl-5,5-dimethyl-4H-1,3-oxazole
Names & synonyms
41004-02-8DTXSID40785662Diethyl (5,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)phosphonate
Database identifiers
- CAS
41004-02-8- PubChem CID
- 71362020
- DTXSID
DTXSID40785662
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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