ethyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate

• ChemBase编号: 89650
• 分子式: C11H19BO4
• 平均质量: 226.07716
• 单一同位素质量: 226.13763949
• SMILES: B1(/C=C/C(=O)OCC)OC(C(O1)(C)C)(C)C
• Canonical SMILES: CCOC(=O)/C=C/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H19BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
• InChIKey: ZXDDITJXZPTHFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate; ethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
• IUPAC传统名: ethyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate; ethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
• 别名: Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate; Ethyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate; Ethyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate, [(E)-2-(Ethoxycarbonyl)ethenyl]boronic acid, pinacol ester; [(E)-2-(Ethoxycarbonyl)vinyl]boronic acid, pinacol ester; 2-ETHOXYCARBONYLVINYLBORONIC ACID PINACOL ESTER

登记号

• CAS号: 1009307-13-4
• MDL号: MFCD09271784
• PubChem SID: 162076513
• PubChem CID: 23553751

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3515
• LogD (pH = 7.4): 3.3515
• Log P: 3.3515
• 摩尔折射率: 56.5544 cm^3
• 极化性: 24.1635 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Irritant/Store under Argon/Keep Cold

产品相关信息

• 纯度: 95+%; 98%