CAS 480438-75-3|tert-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate|tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate|tert-butyl 4-(tetramethyl-1,3,2-dioxabor...

General Information

Structure

Molecular Formula

C₁₇H₂₅BO₅

Molecular Mass

320.1884

Exact Mass

320.1795043

Charge

InChI

InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3

InChIKey

JUKMJUAVZLWOOZ-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.8584

LogD (pH = 7.4)

4.8584

Log P

4.8584

Molar Refractivity

82.2747

Polarizability

34.644264

Polar Surface Area

53.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate4-(叔丁氧羰氧基)苯硼酸频哪醇酯tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl Carbonate4-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯基碳酸叔丁酯

IUPAC name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

IUPAC Traditional name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

Names and Identifiers

Registration numbers

PubChem SID

16204006524880267

PubChem CID

2773956

CAS Number

480438-75-3