4-[(tert-butyldiphenylsilyl)oxy]-2,6-bis(propan-2-yl)phenol

• ChemBase ID: 163433
• Molecular Formular: C28H36O2Si
• Molecular Mass: 432.66974
• Monoisotopic Mass: 432.24845692
• SMILES: Oc1c(cc(cc1C(C)C)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C(C)C
• Canonical SMILES: CC(c1cc(cc(c1O)C(C)C)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C28H36O2Si/c1-20(2)25-18-22(19-26(21(3)4)27(25)29)30-31(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-21,29H,1-7H3
• InChIKey: BMNNMQPKHONECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldiphenylsilyl)oxy]-2,6-bis(propan-2-yl)phenol
• IUPAC Traditional name: 4-[(tert-butyldiphenylsilyl)oxy]-2,6-diisopropylphenol
• Synonyms: 4-(tert-Butyldiphenylsilyl)hydroxy-2,6-bis(1-methylethyl)phenol; 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2,6-bis(1-methylethyl)phenol; 4-(tert-Butyldiphenylsilyl)hydroxy Propofol

Database IDs

• PubChem SID: 162257568
• PubChem CID: 71314435

CALCULATED PROPERTIES

• Acid pKa: 10.9776325
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 9.235699
• LogD (pH = 7.4): 9.235585
• Log P: 9.2357
• Molar Refractivity: 127.6379 cm^3
• Polarizability: 52.053852 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Pink Solid
• Melting Point: 76-81°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - B691820

Protected Propofol Metabolite.