CAS 149777-83-3|Pinacol 2-(4-methoxyphenyl)-vinylboronate|2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolan...

General Information

Structure

Molecular Formula

C₁₅H₂₁BO₃

Molecular Mass

260.13644

Exact Mass

260.15837493

Charge

InChI

InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)11-10-12-6-8-13(17-5)9-7-12/h6-11H,1-5H3

InChIKey

VXSHTICWQKLRMP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)/C=C/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1C(C(OB1/C=C/c1ccc(cc1)OC)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3831

LogD (pH = 7.4)

4.3831

Log P

4.3831

Molar Refractivity

71.9528

Polarizability

30.05777

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Traditional name

2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Synonyms

Pinacol 2-(4-methoxyphenyl)-vinylboronate4-METHOXY-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER4-甲氧基-反-beta-苯乙烯基硼酸频哪醇酯4-Methoxy-trans-beta-styrylboronic acid pinacol ester2-[trans-2-(4-Methoxyphenyl)vinyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties