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...

General Information

Structure

Molecular Formula

C₁₁H₁₇BO₃

Molecular Mass

208.06188

Exact Mass

208.1270748

Charge

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0991

LogD (pH = 7.4)

3.0991

Log P

3.0991

Molar Refractivity

53.3762

Polarizability

22.635939

Polar Surface Area

31.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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 Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD09879905

CAS Number

864776-02-3

PubChem SID

162042337