(5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridin-3-yl)methanol

• ChemBase编号: 163275
• 分子式: C25H38FNO2Si
• 平均质量: 431.6586232
• 单一同位素质量: 431.26558421
• SMILES: c1(c(c(nc(c1CO)C(C)C)C(C)C)CO[Si](C)(C)C(C)(C)C)c1ccc(cc1)F
• Canonical SMILES: OCc1c(c2ccc(cc2)F)c(CO[Si](C(C)(C)C)(C)C)c(nc1C(C)C)C(C)C
• InChI: InChI=1S/C25H38FNO2Si/c1-16(2)23-20(14-28)22(18-10-12-19(26)13-11-18)21(24(27-23)17(3)4)15-29-30(8,9)25(5,6)7/h10-13,16-17,28H,14-15H2,1-9H3
• InChIKey: DWLGERDWFIXFKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridin-3-yl)methanol
• IUPAC传统名: (5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-diisopropylpyridin-3-yl)methanol
• 别名: 5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinemethanol; 3-tert-Butyldimethylsilyloxymethyl-2,6-diisopropyl-4-(4-fluorophenyl)-5-hydroxymethyl-pyridine

登记号

• CAS号: 124863-82-7
• PubChem SID: 162257410
• PubChem CID: 14461405

理论计算性质

• Acid pKa: 14.921488
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 6.185786
• LogD (pH = 7.4): 6.468761
• Log P: 6.4739
• 摩尔折射率: 120.3194 cm^3
• 极化性: 49.89283 Å^3
• 极化表面积: 42.35 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane
• 外观: Yellowish Thick Oil