CAS 480438-74-2|tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate|3-(叔丁氧羰氧基)苯硼酸频哪醇酯|3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester|tert-butyl 3-(tetr...

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)20-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3

InChIKey

UPAKXEPDVAHKPP-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2cc(ccc2)OC(=O)OC(C)(C)C)OC(C)(C)C(O1)(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

34.644287

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 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate3-(叔丁氧羰氧基)苯硼酸频哪醇酯3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester3-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯基碳酸叔丁酯tert-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

16204006424880259

PubChem CID

2773955

CAS Number

480438-74-2