2-[(furan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 800754
• 分子式: C11H17BO3
• 平均质量: 208.06188
• 单一同位素质量: 208.1270748
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1occc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1ccco1
• InChI: InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)8-9-6-5-7-13-9/h5-7H,8H2,1-4H3
• InChIKey: OZEWWWCNQGDOMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(furan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(furan-2-ylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(FURAN-2-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.9945
• LogD (pH = 7.4): 2.9945
• Log P: 2.9945
• 摩尔折射率: 52.6914 cm^3
• 极化性: 22.72178 Å^3
• 极化表面积: 31.6 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%