chempirical

Tetrabutylphosphonium iodide

C16H36IPCAS 3115-66-0386.34 g/mol

Open in Covalent MOL file
P+I−

Properties

Molecular formula
C16H36IP
Molar mass
386.34 g/mol
Exact mass
386.1599 Da
Melting point
95–96 °C
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
3115-66-0
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[I-]
InChIKey
CCIYPTIBRAUPLQ-UHFFFAOYSA-M
InChI
InChI=1S/C16H36P.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, tetrabutyl-, iodide (1:1)
  • Phosphonium, tetrabutyl-, iodide
  • NSC 104836

Work with Tetrabutylphosphonium iodide

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

Tetrabutylphosphonium hydroxide14518-69-568 % similar Tetrabutylphosphonium chloride2304-30-568 % similar Tetrabutylphosphonium bromide3115-68-268 % similar Tributylmethylphosphonium iodide1702-42-762 % similar Hexadecyltributylphosphonium bromide14937-45-259 % similar Tributyltetradecylphosphonium chloride81741-28-859 % similar Tetraoctylphosphonium bromide23906-97-055 % similar Tetra-N-butylammonium iodide311-28-445 % similar

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

Elsewhere

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