Basic information
- CAS
6918-59-8- Standard SMILES
COP(=O)(OC)C(=O)C(C)(C)C- InChIKey
ILVIYRLLZTXZQL-UHFFFAOYSA-N- Molecular formula
- C7H15O4P
- Average molar mass
- 194.17 g/mol
- Monoisotopic mass
- 194.07079595
Names & identifiers
- Preferred name
- Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, dimethyl ester
- IUPAC
- 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one
Names & synonyms
6918-59-8Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, dimethyl esterdimethyl (2,2-dimethylpropanoyl)phosphonateSCHEMBL155530DTXSID10372866AKOS004907008(2,2-Dimethyl-propionyl)-phosphonic acid dimethyl ester
Database identifiers
- CAS
6918-59-8- PubChem CID
- 2752002
- DTXSID
DTXSID10372866- Nikkaji
- J500.891C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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