2-(trimethylsilyl)phenol

• ChemBase ID: 804273
• Molecular Formular: C9H14OSi
• Molecular Mass: 166.29236
• Monoisotopic Mass: 166.0813916
• SMILES: c1(c(cccc1)[Si](C)(C)C)O
• Canonical SMILES: Oc1ccccc1[Si](C)(C)C
• InChI: InChI=1S/C9H14OSi/c1-11(2,3)9-7-5-4-6-8(9)10/h4-7,10H,1-3H3
• InChIKey: UIGHARXPLDWFHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trimethylsilyl)phenol
• IUPAC Traditional name: 2-(trimethylsilyl)phenol
• Synonyms: 2-(TRIMETHYLSILYL)PHENOL

Database IDs

• CAS Number: 15288-53-6

CALCULATED PROPERTIES

• Acid pKa: 9.546495
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.346761
• LogD (pH = 7.4): 3.3437197
• Log P: 3.3468
• Molar Refractivity: 44.1025 cm^3
• Polarizability: 19.395994 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%