4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane

• ChemBase编号: 290086
• 分子式: C16H29BO2
• 平均质量: 264.21126
• 单一同位素质量: 264.22606057
• SMILES: CC1(C)CC(C)(C)C=C(B2OC(C)(C)C(C)(C)O2)C1
• Canonical SMILES: CC1(C)CC(=CC(C1)(C)C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H29BO2/c1-13(2)9-12(10-14(3,4)11-13)17-18-15(5,6)16(7,8)19-17/h9H,10-11H2,1-8H3
• InChIKey: XVMFBRCBEYKITB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
• 别名: 4,4,5,5-Tetramethyl-2-(3,3,5,5-tetramethyl-1-cyclohexen-1-yl)-1,3,2-dioxaborolane; 4,4,5,5-TetraMethyl-2-(3,3,5,5-tetraMethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane

登记号

• CAS号: 859217-85-9
• MDL号: MFCD16659018
• PubChem SID: 180675617
• PubChem CID: 23142059

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.7482
• LogD (pH = 7.4): 4.7482
• Log P: 4.7482
• 摩尔折射率: 76.3365 cm^3
• 极化性: 31.890514 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%; 97%