Diethyl (2-oxopropyl)phosphonate

C₇H₁₅O₄PCAS 1067-71-6194.17 g/mol

Open in Covalent MOL file

Ketone Phosphonate

Properties

Molecular formula: C₇H₁₅O₄P
Molar mass: 194.17 g/mol
Exact mass: 194.0708 Da
logP: 1.84Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Identifiers

CAS number

1067-71-6

SMILES

CCOP(=O)(CC(=O)C)OCC

InChIKey

RSAFKRSMGOSHRK-UHFFFAOYSA-N

InChI

InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Diethoxyphosphorylpropan-2-one

Work with Diethyl (2-oxopropyl)phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl P-(2-oxopropyl)phosphonate4202-14-659 % similar (Diethoxyphosphinyl)acetic acid3095-95-258 % similar Triethyl phosphonoacetate867-13-058 % similar Methyl (diethylphosphono)acetate1067-74-956 % similar Tetraethyl methylenediphosphonate1660-94-252 % similar Tetraethyl ethylenediphosphonate995-32-452 % similar Trimethylsilyl 2-(diethoxyphosphinyl)acetate66130-90-351 % similar Diethyl ethylphosphonate78-38-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook