2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 802071
• 分子式: C13H20BNO2
• 平均质量: 233.1144
• 单一同位素质量: 233.15870929
• SMILES: n1c(cc(cc1B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: Cc1cc(C)nc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-9-7-10(2)15-11(8-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
• InChIKey: BJKJNCWYPNHGQY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 2,4-DIMETHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.9213288
• LogD (pH = 7.4): 3.9248548
• Log P: 3.9249
• 摩尔折射率: 63.5024 cm^3
• 极化性: 26.636711 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%