CAS 170942-79-7|CAS 83947-55-1|4,4,5,5-tetramethyl-2-(oct-1-en-1-yl)-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-(oct-1-en-1-yl)-1,3,2-dioxaborolane|trans-1-(Oct-1-en-1-yl)boronic acid, pinacol ester|...

基本信息

化学结构

分子式

C₁₄H₂₇BO₂

分子量

238.17398

精确质量

238.2104105

电荷

InChI

InChI=1S/C14H27BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3

InChIKey

KQTOSGTXAFJZSJ-UHFFFAOYSA-N

Canonic Smiles

CCCCCC/C=C/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(OC(C)(C)C(O1)(C)C)/C=C/CCCCCC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.152

LogD (pH = 7.4)

5.152

Log P

5.152

摩尔折射率

68.3996

极化性

28.936445

极化表面积

18.46

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

IUPAC传统名

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

IUPAC标准名

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

别名

trans-1-(Oct-1-en-1-yl)boronic acid, pinacol estertrans-4,4,5,5-Tetramethyl-2-(oct-1-en-1-yl)-1,3,2-dioxaborolane反式-1-辛烯-1-基硼酸频哪醇酯trans-1-Octen-1-ylboronic acid pinacol ester(E)-1-Octenylboronic acid pinacol ester(E)-1-辛烯基硼酸频哪醇酯E-2-(1-Octenyl)-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane trans-1-Octenylboronic acid pinacol esterE-2-(1-辛烯基)-4,4,5,5-四甲基-[1,3,2]-二氧杂硼烷反式-1-辛烯基硼酸频哪醇酯TRANS-4,4,5,5-TETRAMETHYL-2-OCT-1-ENYL-1,3,2-DIOXABOROLANE反-1-辛基硼酸频哪醇酯(E)-2-(1-Octenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanetrans-1-Octenylboronic acid pinacol ester

名称和标识

数据登录号

CAS号

170942-79-783947-55-1

MDL号

Beilstein号

PubChem SID

PubChem CID