chempirical

Tricyclohexylphosphine oxide

C18H33OPCAS 13689-19-5296.43 g/mol

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OP

Properties

Molecular formula
C18H33OP
Molar mass
296.43 g/mol
Exact mass
296.2269 Da
Melting point
155–157 °C
logP
6.35Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
13689-19-5
SMILES
O=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIKey
LEFPWWWXFFNJAA-UHFFFAOYSA-N
InChI
InChI=1S/C18H33OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2

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Names and synonyms

2 names
  • Phosphine oxide, tricyclohexyl-
  • NSC 222417

Work with Tricyclohexylphosphine 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

Cyclohexyldiphenylphosphine oxide13689-20-839 % similar Bicyclohexyl92-51-333 % similar Cyclohexyl ketone119-60-830 % similar Cyclohexanecarboxaldehyde2043-61-030 % similar Cyclooctanecarboxaldehyde6688-11-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook