4,4,5,5-tetramethyl-2-[2-(4-pentylphenyl)ethenyl]-1,3,2-dioxaborolane

• ChemBase编号: 811316
• 分子式: C19H29BO2
• 平均质量: 300.24336
• 单一同位素质量: 300.22606057
• SMILES: O1B(OC(C1(C)C)(C)C)C=Cc1ccc(cc1)CCCCC
• Canonical SMILES: CCCCCc1ccc(cc1)C=CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H29BO2/c1-6-7-8-9-16-10-12-17(13-11-16)14-15-20-21-18(2,3)19(4,5)22-20/h10-15H,6-9H2,1-5H3
• InChIKey: ZNSXCABBRJIRGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-[2-(4-pentylphenyl)ethenyl]-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-[2-(4-pentylphenyl)ethenyl]-1,3,2-dioxaborolane
• 别名: 2-[2-(4-PENTYLPHENYL)VINYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

登记号

• CAS号: 907626-13-5

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.6882
• LogD (pH = 7.4): 6.6882
• Log P: 6.6882
• 摩尔折射率: 88.9348 cm^3
• 极化性: 36.716545 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%