4,4,5,5-tetramethyl-2-[(E)-2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane

• ChemBase编号: 295012
• 分子式: C20H30B2O4
• 平均质量: 356.0718
• 单一同位素质量: 356.23302024
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C(\B1OC(C(O1)(C)C)(C)C)/c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C(\B1OC(C(O1)(C)C)(C)C)/c1ccccc1
• InChI: InChI=1S/C20H30B2O4/c1-17(2)18(3,4)24-21(23-17)14-16(15-12-10-9-11-13-15)22-25-19(5,6)20(7,8)26-22/h9-14H,1-8H3/b16-14-
• InChIKey: VQWACXAYGMFHOQ-PEZBUJJGSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-[(E)-2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-[(E)-2-phenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,2-dioxaborolane
• 别名: (E)-alpha,beta-苯乙烯二硼酸双(频那醇)酯; cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)styrene; (E)-alpha,beta-Styrenediboronic acid bis(pinacol) ester

登记号

• CAS号: 173603-23-1
• MDL号: MFCD02683500
• Beilstein号: 8855562
• PubChem SID: 180680543
• PubChem CID: 6393421

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4909
• LogD (pH = 7.4): 5.4909
• Log P: 5.4909
• 摩尔折射率: 95.0561 cm^3
• 极化性: 41.232094 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 69-73°C

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 98%