2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 310100
• 分子式: C10H17BO4
• 平均质量: 212.05058
• 单一同位素质量: 212.12198942
• SMILES: B1(C2=COCCO2)OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1=COCCO1
• InChI: InChI=1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h7H,5-6H2,1-4H3
• InChIKey: PQUXXLGCBJLNMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-dioxine

登记号

• MDL号: MFCD13182121

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2368
• LogD (pH = 7.4): 2.2368
• Log P: 2.2368
• 摩尔折射率: 60.4173 cm^3
• 极化性: 22.221136 Å^3
• 极化表面积: 36.92 Å^2