Cyclohexylboronic acid pinacol ester

C₁₂H₂₃BO₂CAS 87100-15-0210.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₃BO₂
Molar mass: 210.12 g/mol
Exact mass: 210.1791 Da
logP: 3.41Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

87100-15-0

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CCCCC2

InChIKey

OUEVCDGYTKLNMJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3

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Names and synonyms

1 names

Cyclohexylboronic acid, pinacol ester

Work with Cyclohexylboronic 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

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-877 % similar 2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane76347-13-246 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate1048970-17-745 % similar Bis[(pinacolato)boryl]methane78782-17-938 % similar Bis(pinacolato)diboron73183-34-338 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-634 % similar tert-Butylcyclohexane3178-22-133 % similar B-Cyclohexylboronic acid4441-56-933 % similar

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

Elsewhere

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