Diethyl (ethoxyacetyl)phosphonate

C8H17O5PCAS 30492-56-9224.19 g/mol

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EtherPhosphonate

Properties

Molecular formula
C8H17O5P
Molar mass
224.19 g/mol
Exact mass
224.0814 Da
logP
1.82Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
30492-56-9
SMILES
CCOCC(=O)P(=O)(OCC)OCC
InChIKey
CNRJHNUKTBRUGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H17O5P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h4-7H2,1-3H3

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Names and synonyms

2 names
  • Phosphonic acid, (ethoxyacetyl)-, diethyl ester
  • 1-Diethoxyphosphoryl-2-ethoxyethanone

Work with Diethyl (ethoxyacetyl)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

Diethyl (ethoxycarbonyl)phosphonate1474-78-850 % similar 2-Ethoxyacetyl chloride14077-58-841 % similar Ethoxyacetic acid627-03-241 % similar Ethyl ethoxyacetate817-95-841 % similar Triethyl phosphate78-40-038 % similar Diethyl (2-oxopropyl)phosphonate1067-71-636 % similar Tetraethyl pyrophosphate107-49-335 % similar Tetraethyl methylenediphosphonate1660-94-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl Dimethylphosphonoacetate62327-21-3 Triethyl phosphonoacetate867-13-0

Elsewhere

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