2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₉H₁₉BO₂CAS 76347-13-2170.06 g/mol

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Properties

Molecular formula: C₉H₁₉BO₂
Molar mass: 170.06 g/mol
Exact mass: 170.1478 Da
logP: 2.49Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

76347-13-2

SMILES

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

InChIKey

MECCSFDHAVAAAW-UHFFFAOYSA-N

InChI

InChI=1S/C9H19BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h7H,1-6H3

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Names and synonyms

1 names

2-Isopropylboronic acid, pinacol ester

Work with 2-Isopropyl-4,4,5,5-tetramethyl-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

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-852 % similar Cyclohexylboronic acid pinacol ester87100-15-046 % similar Bis(pinacolato)diboron73183-34-345 % similar Isopropoxy 4,4,5,5-tetramethyl-1,3,2-dioxaborolane61676-62-844 % similar Methyl boronic acid pinacol ester94242-85-041 % similar Bis[(pinacolato)boryl]methane78782-17-939 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-038 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-Nonenylboronic acid57404-77-0

Elsewhere

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