chempirical

Diethyl propylphosphonate

C7H17O3PCAS 18812-51-6180.18 g/mol

Open in Covalent MOL file
POOO
Phosphonate

Properties

Molecular formula
C7H17O3P
Molar mass
180.18 g/mol
Exact mass
180.0915 Da
Density
0.9937 g/mL (at 30 °C)
Boiling point
102 °C (at 17 Torr)
logP
2.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
18812-51-6
SMILES
CCCP(=O)(OCC)OCC
InChIKey
RUIKOPXSCCGLOM-UHFFFAOYSA-N
InChI
InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Phosphonic acid, P-propyl-, diethyl ester
  • Phosphonic acid, propyl-, diethyl ester
  • O,O-Diethyl propylphosphonate
  • Diethyl propanephosphonate
  • Diethoxypropylphosphine oxide
  • 1-Diethoxyphosphorylpropane

Work with Diethyl propylphosphonate

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

Same formula

Diisopropyl methylphosphonate1445-75-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook