Isopropenylboronic acid pinacol ester

C₉H₁₇BO₂CAS 126726-62-3168.04 g/mol

Open in Covalent MOL file

Alkene Boronic ester

Properties

Molecular formula: C₉H₁₇BO₂
Molar mass: 168.04 g/mol
Exact mass: 168.1322 Da
logP: 2.19Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

126726-62-3

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)C

InChIKey

SVSUYEJKNSMKKW-UHFFFAOYSA-N

InChI

InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane

Work with Isopropenylboronic acid pinacol ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(pinacolato)diboron73183-34-339 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-033 % similar 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1227068-84-932 % similar 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-307531-74-431 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-231 % similar Isopropoxy 4,4,5,5-tetramethyl-1,3,2-dioxaborolane61676-62-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-8

Elsewhere

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