chempirical

Trioctylphosphine oxide

C24H51OPCAS 78-50-2386.64 g/mol

Open in Covalent MOL file
PO

Properties

Molecular formula
C24H51OP
Molar mass
386.64 g/mol
Exact mass
386.3678 Da
Melting point
48–54 °C
Boiling point
180–205 °C (at 1 Torr)
logP
9.43Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
21

Identifiers

CAS number
78-50-2
SMILES
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
InChIKey
ZMBHCYHQLYEYDV-UHFFFAOYSA-N
InChI
InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

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Names and synonyms

7 names
  • Phosphine oxide, trioctyl-
  • TOPO
  • Tri-n-octylphosphine oxide
  • Hostarex PX 324
  • Cyanex 921
  • 1-Dioctylphosphoryloctane
  • 1-(Dioctylphosphoryl)octane

Work with Trioctylphosphine oxide

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

Tributylphosphine oxide814-29-979 % similar Tetradecylphosphonic acid4671-75-456 % similar Octadecylphosphonic acid4724-47-456 % similar Octylphosphonic acid4724-48-556 % similar Octane111-65-950 % similar Nonane111-84-250 % similar Dodecane112-40-350 % similar Icosane112-95-850 % similar

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

Elsewhere

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