4,4,5,5-tetramethyl-2-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-1,3,2-dioxaborolane

• ChemBase编号: 74833
• 分子式: C18H34B2O4
• 平均质量: 336.08216
• 单一同位素质量: 336.26432037
• SMILES: B1(/C=C(/B2OC(C(O2)(C)C)(C)C)\CCCC)OC(C)(C(O1)(C)C)C
• Canonical SMILES: CCCC/C(=C\B1OC(C(O1)(C)C)(C)C)/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C18H34B2O4/c1-10-11-12-14(20-23-17(6,7)18(8,9)24-20)13-19-21-15(2,3)16(4,5)22-19/h13H,10-12H2,1-9H3
• InChIKey: SACOFNGKSPZAFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-1-yl]-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-1-yl]-1,3,2-dioxaborolane
• 别名: 1-[顺-1,2-双(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)]己烯; 2,2′-[(1Z)-1-丁基-1,2-乙烯二基]双[4,4,5,5-四甲基-1,3,2-二氧杂硼烷]; (E)-1-己烯-1,2-双硼酸双(频哪醇)酯; (1E)-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-ene; (1E)-Hex-1-ene-1,2-diboronic acid, pinacol diester; 1-[cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)]hexene; 2,2′-[(1Z)-1-Butyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane]; (E)-1-Hexene-1,2-diboronic acid bis(pinacol) ester

登记号

• CAS号: 312693-52-0; 185427-48-9
• MDL号: MFCD03093898
• PubChem SID: 24874631; 162039751
• PubChem CID: 6026893

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4626
• LogD (pH = 7.4): 5.4626
• Log P: 5.4626
• 摩尔折射率: 88.7641 cm^3
• 极化性: 38.9252 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 292 °C(lit.); 292°C
• 闪点: >110 °C; >110°C; >230 °F
• 密度: 0.954; 0.954 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.455(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

产品相关信息

• Empirical Formula (Hill Notation): C18H34B2O4

详细说明

Sigma Aldrich - 527602

包装
1 g in glass bottle