chempirical

Tetraisopropyl methylenediphosphonate

C13H30O6P2CAS 1660-95-3344.32 g/mol

Open in Covalent MOL file
OPOPOOOO
Phosphonate

Properties

Molecular formula
C13H30O6P2
Molar mass
344.32 g/mol
Exact mass
344.1518 Da
Density
1.0531 g/mL (at 25 °C)
Boiling point
87–90 °C
logP
5.03Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
10

Identifiers

CAS number
1660-95-3
SMILES
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIKey
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3

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′-methylenebis-, P,P,P′,P′-tetrakis(1-methylethyl) ester
  • Phosphonic acid, methylenedi-, tetraisopropyl ester
  • Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester
  • Methylenediphosphonic acid tetraisopropyl ester
  • Tetraisopropyl methylenebisphosphonate
  • NSC 226577
  • [(Diisopropoxyphosphinyl)methyl]diisopropoxyphosphine oxide
  • Tetrakis(O-isopropyl) methylenediphosphonate
  • 2-[Di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane

Work with Tetraisopropyl methylenediphosphonate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisopropyl methylphosphonate1445-75-646 % similar Bis(1-methylethyl) phosphorochloridate2574-25-644 % similar Diisopropyl fluorophosphate55-91-444 % similar Tetraethyl methylenediphosphonate1660-94-240 % similar Tris(2-chloroisopropyl) phosphate13674-84-534 % similar Iprobenfos26087-47-833 % similar Propanephosphonic acid anhydride68957-94-831 % similar

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

Elsewhere

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