trioxo[(triphenylsilyl)oxy]rhenium

• ChemBase ID: 140373
• Molecular Formular: C18H15O4ReSi
• Molecular Mass: 509.6018
• Monoisotopic Mass: 510.02971349
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[Re](=O)(=O)=O
• Canonical SMILES: O=[Re](=O)(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OSi.3O.Re/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;;;;/q-1;;;;+1
• InChIKey: JFZHOPFMMQQPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxo[(triphenylsilyl)oxy]rhenium
• IUPAC Traditional name: trioxo[(triphenylsilyl)oxy]rhenium
• Synonyms: Trioxo(triphenylsilyloxy)rhenium(VII); 三氧杂(三苯基硅氧基)铼(VII)

Database IDs

• CAS Number: 60624-60-4
• MDL Number: MFCD09265076
• PubChem SID: 24885205; 162234617
• PubChem CID: 10940165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4906
• LogD (pH = 7.4): 4.4906
• Log P: 4.4906
• Molar Refractivity: 82.1018 cm^3
• Polarizability: 41.07767 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 108-110 °C

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C18H15O4ReSi

DETAILS

Sigma Aldrich - 674192

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• Cycloisomerization reactions1
• Prins dimerization2
• Prins cyclization reactions3