chempirical

2,2,4,4,6,6-Hexaphenylcyclotrisiloxane

C36H30O3Si3CAS 512-63-0594.89 g/mol

Open in Covalent MOL file
SiOSiOSiO

Properties

Molecular formula
C36H30O3Si3
Molar mass
594.89 g/mol
Exact mass
594.1503 Da
Density
1.23 g/mL
Melting point
188 °C
Boiling point
300 °C (at 1 Torr)
logP
3.82Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
512-63-0
SMILES
c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChIKey
VCYDUTCMKSROID-UHFFFAOYSA-N
InChI
InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Cyclotrisiloxane, 2,2,4,4,6,6-hexaphenyl-
  • Cyclotrisiloxane, hexaphenyl-
  • Diphenylsiloxane cyclic trimer
  • Hexaphenylcyclotrisiloxane
  • NSC 127080
  • 2,2,4,4,6,6-Hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

Work with 2,2,4,4,6,6-Hexaphenylcyclotrisiloxane

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

Octaphenylcyclotetrasiloxane546-56-5100 % similar Hexaphenyldisiloxane1829-40-958 % similar Diphenyldimethoxysilane6843-66-957 % similar 1,1′,1′′,1′′′-Silanetetrayltetrakis[benzene]1048-08-450 % similar 1,1,1,2,2,2-Hexaphenyldisilane1450-23-350 % similar 1,1,5,5-Tetramethyl-3,3-diphenyltrisiloxane17875-55-750 % similar Diphenyldiethoxysilane2553-19-750 % similar 1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane56-33-750 % similar

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

Elsewhere

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