tin(4+) ion tetrakis(2-methylbutan-2-olate)

• ChemBase ID: 303236
• Molecular Formular: C20H44O4Sn
• Molecular Mass: 467.26196
• Monoisotopic Mass: 468.22615389
• SMILES: CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].[Sn+4]
• Canonical SMILES: CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].CCC(C)(C)[O-].[Sn+4]
• InChI: InChI=1S/4C5H11O.Sn/c4*1-4-5(2,3)6;/h4*4H2,1-3H3;/q4*-1;+4
• InChIKey: CFCVWDBMYHOFHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(4+) ion tetrakis(2-methylbutan-2-olate)
• IUPAC Traditional name: tin(4+) ion tetrakis(2-methylbutan-2-olate)
• Synonyms: Tin(IV) tert-pentyloxide; 叔戊氧基锡(IV)

Database IDs

• MDL Number: MFCD00145409

CALCULATED PROPERTIES

• Acid pKa: 18.535208
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.057905
• LogD (pH = 7.4): 1.057905
• Log P: 1.057905
• Molar Refractivity: 37.1412 cm^3
• Polarizability: 10.265616 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 100°C/0.2mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN3274
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-20-34
• Safety Statements: 9-16-24/25-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H314-H318-H302-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99% (metals basis)
• Concentration: 5% w/v in 2-methyl-2-butanol