Tricyclohexylphosphine oxide

C₁₈H₃₃OPCAS 13689-19-5296.43 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Cyclooctanecarbaldehyde6688-11-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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