2,6-bis[(tert-butyldimethylsilyl)oxy]phenol

• ChemBase ID: 76125
• Molecular Formular: C18H34O3Si2
• Molecular Mass: 354.63176
• Monoisotopic Mass: 354.20464801
• SMILES: Oc1c(cccc1O[Si](C)(C(C)(C)C)C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: CC([Si](Oc1cccc(c1O)O[Si](C(C)(C)C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C18H34O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-15(16(14)19)21-23(9,10)18(4,5)6/h11-13,19H,1-10H3
• InChIKey: UJJGKOBSTIQFGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis[(tert-butyldimethylsilyl)oxy]phenol
• IUPAC Traditional name: 2,6-bis[(tert-butyldimethylsilyl)oxy]phenol
• Synonyms: 2,6-Bis(tert-butyldimethylsilyloxy)phenol

Database IDs

• CAS Number: 197014-35-0
• MDL Number: MFCD09037963
• PubChem SID: 162041040
• PubChem CID: 15317526

CALCULATED PROPERTIES

• Acid pKa: 9.683435
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.628772
• LogD (pH = 7.4): 5.6265507
• Log P: 5.6288
• Molar Refractivity: 91.6969 cm^3
• Polarizability: 40.254513 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false