2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 296631
• 分子式: C14H27BO2
• 平均质量: 238.17398
• 单一同位素质量: 238.2104105
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCCC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCCC1CCCC1
• InChI: InChI=1S/C14H27BO2/c1-13(2)14(3,4)17-15(16-13)11-7-10-12-8-5-6-9-12/h12H,5-11H2,1-4H3
• InChIKey: ADJQPAJSVVAGBR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 3-环戊基丙基硼酸频哪醇酯; 2-(3-Cyclopentylpropyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane; 3-Cyclopentylpropylboronic acid pinacol ester

登记号

• MDL号: MFCD12546194
• PubChem SID: 180682162
• PubChem CID: 73995118

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.4469
• LogD (pH = 7.4): 4.4469
• Log P: 4.4469
• 摩尔折射率: 66.3705 cm^3
• 极化性: 28.436707 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: true

分子性质

理化性质

• 沸点: 114°C/5mm

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%