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

• ChemBase编号: 804188
• 分子式: C17H26BNO3
• 平均质量: 303.20424
• 单一同位素质量: 303.2005741
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)OC1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)OC1CCCCC1
• InChI: InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-11-8-12-15(19-14)20-13-9-6-5-7-10-13/h8,11-13H,5-7,9-10H2,1-4H3
• InChIKey: NYNOAICEPGDPPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(cyclohexyloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2-(cyclohexyloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 6-(CYCLOHEXYLOXY)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): 5.318099
• LogD (pH = 7.4): 5.3181
• Log P: 5.3181
• 摩尔折射率: 81.6606 cm^3
• 极化性: 34.10683 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: false

分子性质

产品相关信息

• 纯度: 98%