2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 296391
• 分子式: C18H29BO2
• 平均质量: 288.23266
• 单一同位素质量: 288.22606057
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCc1ccc(cc1)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCc1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C18H29BO2/c1-16(2,3)15-10-8-14(9-11-15)12-13-19-20-17(4,5)18(6,7)21-19/h8-11H,12-13H2,1-7H3
• InChIKey: MWFMSBIXSIIMIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(4-叔丁苯基)乙烷基硼酸频哪酯; 2-[2-(4-tert-Butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-tert-Butylphenyl)ethylboronic acid pinacol ester

登记号

• MDL号: MFCD09953477
• PubChem SID: 180681922
• PubChem CID: 46739059

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.8796
• LogD (pH = 7.4): 5.8796
• Log P: 5.8796
• 摩尔折射率: 83.981 cm^3
• 极化性: 34.947937 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 95%