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

• ChemBase编号: 163351
• 分子式: C13H23NO2Si
• 平均质量: 253.41272
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: {4-[(tert-butyldimethylsilyl)oxy]-3-methylpyridin-2-yl}methanol
• IUPAC传统名: {4-[(tert-butyldimethylsilyl)oxy]-3-methylpyridin-2-yl}methanol
• 别名: 4-O-tert-[(1,1-Dimethylethyl)dimethylsilyl]-2-(hydroxymethyl)-3-methylpyridine; 4-O-tert-Butyldimethylsilyl-2-(hydroxymethyl)-3-methylpyridine

登记号

• PubChem SID: 162257486
• PubChem CID: 71314410

理论计算性质

• Acid pKa: 14.153397
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.2586358
• LogD (pH = 7.4): 2.349864
• Log P: 2.4502
• 摩尔折射率: 67.065 cm^3
• 极化性: 28.308016 Å^3
• 极化表面积: 42.35 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Methanol
• 外观: Pale Yellow Solid