chempirical

Tetraethyl ethylenediphosphonate

C10H24O6P2CAS 995-32-4302.24 g/mol

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OPOPOOOO
Phosphonate

Properties

Molecular formula
C10H24O6P2
Molar mass
302.24 g/mol
Exact mass
302.1048 Da
Density
1.1376 g/mL (at 20 °C)
Boiling point
167 °C (at 1 Torr)
logP
3.52Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
995-32-4
SMILES
CCOP(=O)(CCP(=O)(OCC)OCC)OCC
InChIKey
RSQYXXACEZCDFS-UHFFFAOYSA-N
InChI
InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • Phosphonic acid, P,P′-1,2-ethanediylbis-, P,P,P′,P′-tetraethyl ester
  • Phosphonic acid, ethylenedi-, tetraethyl ester
  • Phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester
  • Tetraethyl ethylenebis(phosphonate)
  • Ethane-1,2-diphosphonic acid tetraethyl ester
  • 1,2-Bis(diethoxyphosphinyl)ethane
  • 1,2-Ethylenediphosphonic acid tetraethyl ester
  • 1,2-Bis(diethylphosphonyl)ethane
  • 1,2-Bis(diethoxyphosphoryl)ethane

Work with Tetraethyl ethylenediphosphonate

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 propylphosphonate18812-51-680 % similar Tetraethyl methylenediphosphonate1660-94-270 % similar Diethyl P-(2-bromoethyl)phosphonate5324-30-170 % similar Diethyl ethylphosphonate78-38-667 % similar Diethyl P-[2-(triethoxysilyl)ethyl]phosphonate757-44-864 % similar Diethyl P-(iodomethyl)phosphonate10419-77-961 % similar Diethyl P-(hydroxymethyl)phosphonate3084-40-061 % similar Diethyl P-(cyanomethyl)phosphonate2537-48-656 % similar

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

Elsewhere

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