CAS 307531-74-4|4,4,5,5-tetramethyl-2-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane|1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene|4,4,5,5-tetramethy...

基本信息

化学结构

分子式

C₁₉H₃₆B₂O₄

分子量

350.10874

精确质量

350.27997043

电荷

InChI

InChI=1S/C19H36B2O4/c1-10-11-12-13-15(21-24-18(6,7)19(8,9)25-21)14-20-22-16(2,3)17(4,5)23-20/h14H,10-13H2,1-9H3

InChIKey

KBMWLQPDFRGVTD-UHFFFAOYSA-N

Canonic Smiles

CCCCC/C(=C/B1OC(C(O1)(C)C)(C)C)/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(/C=C(\B2OC(C(O2)(C)C)(C)C)/CCCCC)OC(C)(C)C(O1)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.8589

LogD (pH = 7.4)

5.8589

Log P

5.8589

摩尔折射率

93.3651

极化性

40.769005

极化表面积

36.92

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

别名

1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene1-[顺-1,2-双(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)]庚烯2,2′-[(1Z)-1-Pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane]1-[cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)] heptene1-庚烯-1,2-二硼酸双(2,3-二甲基-2,3-丁二醇)酯(E)-1-Heptene-1,2-diboronic acid bis(pinacol) ester1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene(E)-1-庚烯-1,2-二硼酸双(频那醇)酯

IUPAC传统名

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

IUPAC标准名

名称和标识

数据登录号

Beilstein号

MDL号

CAS号

PubChem SID

PubChem CID