2-(2-cyclopropylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 309767
• 分子式: C11H17BO2
• 平均质量: 192.06248
• 单一同位素质量: 192.13216018
• SMILES: B1(OC(C(O1)(C)C)(C)C)C#CC1CC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C#CC1CC1
• InChI: InChI=1S/C11H17BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h9H,5-6H2,1-4H3
• InChIKey: MCMLWIQRCZRVNH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-cyclopropylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(2-cyclopropylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(cyclopropylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

登记号

• MDL号: MFCD13182125

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3106
• LogD (pH = 7.4): 3.3106
• Log P: 3.3106
• 摩尔折射率: 50.07 cm^3
• 极化性: 21.803549 Å^3
• 极化表面积: 18.46 Å^2