CAS 864776-02-3|2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan|2-Methylfuran-3-boronic acid, pinacol ester|2-(2-Methylfur-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|4,4,5,5-tetrame...

基本信息

化学结构

分子式

C₁₁H₁₇BO₃

分子量

208.06188

精确质量

208.1270748

电荷

InChI

InChI=1S/C11H17BO3/c1-8-9(6-7-13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3

InChIKey

JMLBPHNESOKSEV-UHFFFAOYSA-N

Canonic Smiles

Cc1occc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

o1ccc(c1C)B1OC(C(O1)(C)C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.0991

LogD (pH = 7.4)

3.0991

Log P

3.0991

摩尔折射率

53.3762

极化性

22.635939

极化表面积

31.6

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan2-Methylfuran-3-boronic acid, pinacol ester2-(2-Methylfur-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(2-methyl-3-furyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-(2-methyl-3-furanyl)-1,3,2-dioxaborolane

IUPAC传统名

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

IUPAC标准名

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

名称和标识

数据登录号

CAS号

864776-02-3

MDL号

MFCD09879905

PubChem SID

162042337