CAS 1009307-13-4|Ethyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate|ethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate|Ethyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborola...

General Information

Structure

Molecular Formula

C₁₁H₁₉BO₄

Molecular Mass

226.07716

Exact Mass

226.13763949

Charge

InChI

InChI=1S/C11H19BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3

InChIKey

ZXDDITJXZPTHFE-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)/C=C/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(/C=C/C(=O)OCC)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3515

LogD (pH = 7.4)

3.3515

Log P

3.3515

Molar Refractivity

56.5544

Polarizability

24.1635

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Ethyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoateEthyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate, [(E)-2-(Ethoxycarbonyl)ethenyl]boronic acid, pinacol ester[(E)-2-(Ethoxycarbonyl)vinyl]boronic acid, pinacol esterEthyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate2-ETHOXYCARBONYLVINYLBORONIC ACID PINACOL ESTER

IUPAC Traditional name

ethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate ethyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate

IUPAC name

ethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate ethyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate

Names and Identifiers

Registration numbers

PubChem CID

23553751

PubChem SID

162076513

CAS Number

1009307-13-4