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

C₉H₁₇BO₂CAS 126689-01-8168.04 g/mol

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Properties

Molecular formula: C₉H₁₇BO₂
Molar mass: 168.04 g/mol
Exact mass: 168.1322 Da
logP: 2.24Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

126689-01-8

SMILES

CC1(C)OB(C2CC2)OC1(C)C

InChIKey

XGBMQBPLWXTEPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3

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Names and synonyms

3 names

1,3,2-Dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl-
Cyclopropylboronic acid pinacol ester
2-Cyclopropylboronic acid pinacol ester

Work with 2-Cyclopropyl-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

1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate1048970-17-749 % similar Bis(pinacolato)diboron73183-34-343 % similar Isopropoxy 4,4,5,5-tetramethyl-1,3,2-dioxaborolane61676-62-837 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-036 % similar 1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1151802-22-032 % similar (E)-1-Ethoxyethene-2-ylboronic acid pinacol ester1201905-61-431 % similar 1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1002309-48-930 % similar

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

Same formula

Isopropenylboronic acid pinacol ester126726-62-3

Elsewhere

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