1-[1,2-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol

• ChemBase编号: 75185
• 分子式: C20H36B2O5
• 平均质量: 378.11884
• 单一同位素质量: 378.27488505
• SMILES: B1(OC(C)(C(O1)(C)C)C)/C(=C/B1OC(C(O1)(C)C)(C)C)/C1(CCCCC1)O
• Canonical SMILES: OC1(CCCCC1)/C(=C\B1OC(C(O1)(C)C)(C)C)/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H36B2O5/c1-16(2)17(3,4)25-21(24-16)14-15(20(23)12-10-9-11-13-20)22-26-18(5,6)19(7,8)27-22/h14,23H,9-13H2,1-8H3
• InChIKey: AEMMRANIQHBQBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[1,2-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol
• IUPAC传统名: 1-[1,2-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol
• 别名: 1-(顺式-1,2-双(4,4,5,5,-四甲基-1,3,2-二氧杂环硼戊烷-2-基))乙烯基环己烷-1-醇; (E)-1-(1-羟基环己基)乙烯-1,2-二硼酸二(频哪醇)酯; 1-[(E)-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol; (E)-1-(1-Hydroxycyclohexyl)ethene-1,2-diboronic acid, pinacol diester; 1-(cis-1,2-Bis(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl))vinylcyclohexan-1-ol; (E)-1-(1-Hydroxycyclohexyl)ethene-1,2-diboronic acid bis(pinacol) ester

登记号

• CAS号: 264144-69-6
• MDL号: MFCD03453670
• PubChem SID: 24874632; 162040103
• PubChem CID: 44118709

理论计算性质

• Acid pKa: 14.063943
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 4.292
• LogD (pH = 7.4): 4.292
• Log P: 4.292
• 摩尔折射率: 97.6396 cm^3
• 极化性: 42.494408 Å^3
• 极化表面积: 57.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 85-90 °C(lit.)

安全信息

• 保存注意事项: Irritant/Store under Argon
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 线性分子式: C6H10(OH)C(BO2C2(CH3)4)CH(BO2C2(CH3)4)

详细说明

Sigma Aldrich - 527610

包装
1 g in glass bottle