2-(tert-butoxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 804829
• 分子式: C15H24BNO3
• 平均质量: 277.16696
• 单一同位素质量: 277.18492403
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)OC(C)(C)C
• Canonical SMILES: CC(Oc1cccc(n1)B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C15H24BNO3/c1-13(2,3)18-12-10-8-9-11(17-12)16-19-14(4,5)15(6,7)20-16/h8-10H,1-7H3
• InChIKey: IQVQXYNEEAIOST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(tert-butoxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2-(tert-butoxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 6-(TERT-BUTOXY)PYRIDINE-2-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.566799
• LogD (pH = 7.4): 4.5668
• Log P: 4.5668
• 摩尔折射率: 74.452 cm^3
• 极化性: 31.151865 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%