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

Warning

H226 Flammable liquid and vapor98.3% of notifiers
H315 Causes skin irritation81% of notifiers
H319 Causes serious eye irritation81% of notifiers
H335 May cause respiratory irritation79.3% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 Methyl boronic acid pinacol ester94242-85-035 % 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

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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