chempirical

Diethyl P-[2-(triethoxysilyl)ethyl]phosphonate

C12H29O6PSiCAS 757-44-8328.42 g/mol

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PhosphonateSilyl ether

Properties

Molecular formula
C12H29O6PSi
Molar mass
328.42 g/mol
Exact mass
328.1471 Da
Density
1.0313 g/mL (at 25 °C)
Boiling point
141 °C (at 2 Torr)
logP
3.30Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13

Identifiers

CAS number
757-44-8
SMILES
CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC
InChIKey
RGAHQVPQZZNNOV-UHFFFAOYSA-N
InChI
InChI=1S/C12H29O6PSi/c1-6-14-19(13,15-7-2)11-12-20(16-8-3,17-9-4)18-10-5/h6-12H2,1-5H3

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

Names and synonyms

8 names
  • Phosphonic acid, P-[2-(triethoxysilyl)ethyl]-, diethyl ester
  • Phosphonic acid, [2-(triethoxysilyl)ethyl]-, diethyl ester
  • Diethyl [2-(triethoxysilyl)ethane]phosphonate
  • Diethoxyphosphorylethyltriethoxysilane
  • Diethyl [β-(triethoxysilyl)ethyl]phosphonate
  • (2-Diethylphosphonatoethyl)triethoxylsilane
  • Diethyl [2-(triethoxysilyl)ethyl]phosphonate
  • 2-Diethoxyphosphorylethyl(triethoxy)silane

Work with Diethyl P-[2-(triethoxysilyl)ethyl]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

Elsewhere

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