chempirical

Diethyl P-2-propen-1-ylphosphonate

C7H15O3PCAS 1067-87-4178.17 g/mol

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POOO
AlkenePhosphonate

Properties

Molecular formula
C7H15O3P
Molar mass
178.17 g/mol
Exact mass
178.0759 Da
Density
1.0362 g/mL (at 17 °C)
Boiling point
96.5–97 °C (at 11 Torr)
logP
2.44Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
1067-87-4
SMILES
C=CCP(=O)(OCC)OCC
InChIKey
YPJHXRAHMUKXAE-UHFFFAOYSA-N
InChI
InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

7 names
  • Phosphonic acid, P-2-propen-1-yl-, diethyl ester
  • Phosphonic acid, allyl-, diethyl ester
  • Phosphonic acid, 2-propenyl-, diethyl ester
  • Diethyl allylphosphonate
  • Diethyl α-allylphosphonate
  • Diethyl prop-2-enylphosphonate
  • 3-Diethoxyphosphorylprop-1-ene

Work with Diethyl P-2-propen-1-ylphosphonate

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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