chempirical

Dimethyl P-(2-oxoheptyl)phosphonate

C9H19O4PCAS 36969-89-8222.22 g/mol

Open in Covalent MOL file
OPOOO
KetonePhosphonate

Properties

Molecular formula
C9H19O4P
Molar mass
222.22 g/mol
Exact mass
222.1021 Da
logP
2.62Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

Identifiers

CAS number
36969-89-8
SMILES
CCCCCC(=O)CP(=O)(OC)OC
InChIKey
LQZCYXCHWNQBKX-UHFFFAOYSA-N
InChI
InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Phosphonic acid, P-(2-oxoheptyl)-, dimethyl ester
  • Phosphonic acid, (2-oxoheptyl)-, dimethyl ester
  • Dimethyl 2-oxoheptanephosphonate
  • Dimethyl (2-oxoheptyl)phosphonate
  • Dimethyl (hexanoylmethyl)phosphonate
  • (2-Oxoheptyl)phosphonic acid dimethyl ester
  • Dimethyl β-oxoheptylphosphonate
  • Dimethyl 2-oxoheptylphosphate
  • 1-Dimethoxyphosphorylheptan-2-one

Work with Dimethyl P-(2-oxoheptyl)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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