{4-[(tert-butyldimethylsilyl)oxy]-3-methylpyridin-2-yl}methanol

• ChemBase ID: 163351
• Molecular Formular: C13H23NO2Si
• Molecular Mass: 253.41272
• Monoisotopic Mass: 253.14980551
• SMILES: c1cnc(c(c1O[Si](C(C)(C)C)(C)C)C)CO
• Canonical SMILES: OCc1nccc(c1C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H23NO2Si/c1-10-11(9-15)14-8-7-12(10)16-17(5,6)13(2,3)4/h7-8,15H,9H2,1-6H3
• InChIKey: JWDVGEYLMFLKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(tert-butyldimethylsilyl)oxy]-3-methylpyridin-2-yl}methanol
• IUPAC Traditional name: {4-[(tert-butyldimethylsilyl)oxy]-3-methylpyridin-2-yl}methanol
• Synonyms: 4-O-tert-[(1,1-Dimethylethyl)dimethylsilyl]-2-(hydroxymethyl)-3-methylpyridine; 4-O-tert-Butyldimethylsilyl-2-(hydroxymethyl)-3-methylpyridine

Database IDs

• PubChem SID: 162257486
• PubChem CID: 71314410

CALCULATED PROPERTIES

• Acid pKa: 14.153397
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2586358
• LogD (pH = 7.4): 2.349864
• Log P: 2.4502
• Molar Refractivity: 67.065 cm^3
• Polarizability: 28.308016 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Methanol
• Apperance: Pale Yellow Solid