CAS 219489-07-3|CAS 1201905-61-4|2-[(Z)-2-Ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1...

General Information

Structure

Molecular Formula

C₁₀H₁₉BO₃

Molecular Mass

198.06706

Exact Mass

198.14272487

Charge

InChI

InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+

InChIKey

MRAYNLYCQPAZJN-BQYQJAHWSA-N

Canonic Smiles

CCO/C=C/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

C(=C\B1OC(C(O1)(C)C)(C)C)/OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6406

LogD (pH = 7.4)

2.6406

Log P

2.6406

Molar Refractivity

51.1986

Polarizability

22.237833

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

[(Z)-2-Ethoxyethenyl]boronic acid, pinacol ester2-[(Z)-2-Ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[(Z)-2-Ethoxyvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane[(Z)-2-Ethoxyvinyl]boronic acid, pinacol ester(E)-1-Ethoxyethene-2-boronic acid pinacol ester2-Ethoxyethenyl-1-boronic acid pinacol ester2-乙氧基乙烯基-1-硼酸频哪酯2-[2-Ethoxyvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(E)-2-Ethoxyvinylboronic acid pinacol estertrans-2-Ethoxyvinylboronic acid pinacol ester(E)-2-(2-Ethoxyvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

MDL Number

MFCD09702441MFCD09998813

CAS Number

219489-07-31201905-61-4

PubChem SID

162030802

PubChem CID

21973908

Registration numbers

Properties