2-(3-cyclopentylprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 309721
• 分子式: C14H23BO2
• 平均质量: 234.14222
• 单一同位素质量: 234.17911038
• SMILES: B1(OC(C(O1)(C)C)(C)C)C#CCC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C#CCC1CCCC1
• InChI: InChI=1S/C14H23BO2/c1-13(2)14(3,4)17-15(16-13)11-7-10-12-8-5-6-9-12/h12H,5-6,8-10H2,1-4H3
• InChIKey: BJWBSOBABPKVDT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-cyclopentylprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(3-cyclopentylprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(3-cyclopentyl-1-propyn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

登记号

• MDL号: MFCD19982733

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.4995
• LogD (pH = 7.4): 4.4995
• Log P: 4.4995
• 摩尔折射率: 63.873 cm^3
• 极化性: 27.334694 Å^3
• 极化表面积: 18.46 Å^2