CAS 195062-57-8|2-(4-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane|4-Met...

General Information

Structure

Molecular Formula

C₁₃H₁₉BO₂

Molecular Mass

218.09976

Exact Mass

218.14781025

Charge

InChI

InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3

InChIKey

GKSSEDDAXXEPCP-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2ccc(cc2)C)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3676

LogD (pH = 7.4)

4.3676

Log P

4.3676

Molar Refractivity

60.7543

Polarizability

25.781185

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(4-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-Methylbenzeneboronic acid, pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE4,4,5,5-Tetramethyl-2-(p-tolyl)-1,3,2-dioxaborolane

IUPAC name

4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

IUPAC Traditional name

4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

MDL Number

MFCD03453662

CAS Number

195062-57-8

PubChem CID

2774016