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

C₉H₁₇BO₂CAS 72824-04-5168.04 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: 2.26Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

72824-04-5

SMILES

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

InChIKey

YMHIEPNFCBNQQU-UHFFFAOYSA-N

InChI

InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3

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Names and synonyms

1 names

Allylboronic acid pinacol ester

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

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)boryl]methane78782-17-950 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-644 % similar Bis(pinacolato)diboron73183-34-338 % similar Benzylboronic acid pinacol ester87100-28-536 % similar 2-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane243145-83-733 % similar 4,4-Dimethyl-1-pentene762-62-933 % similar (E)-1-Ethoxyethene-2-ylboronic acid pinacol ester1201905-61-432 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-032 % 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 Isopropenylboronic acid pinacol ester126726-62-3

Elsewhere

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