2-(oxolan-3-yloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 804187
• 分子式: C15H22BNO4
• 平均质量: 291.15048
• 单一同位素质量: 291.16418859
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)OC1COCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)OC1CCOC1
• InChI: InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(17-12)19-11-8-9-18-10-11/h5-7,11H,8-10H2,1-4H3
• InChIKey: AAKBXCOMANMIML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(oxolan-3-yloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2-(oxolan-3-yloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 6-(TETRAHYDRO-FURAN-3-YLOXY)PYRIDINE-2-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.5130992
• LogD (pH = 7.4): 3.5131
• Log P: 3.5131
• 摩尔折射率: 74.2565 cm^3
• 极化性: 31.125294 Å^3
• 极化表面积: 49.81 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%