Cyclohexylboronic acid pinacol ester

C12H23BO2CAS 87100-15-0210.12 g/mol

Open in Covalent MOL file
BOO
Boronic ester

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 Methyl boronic acid pinacol ester94242-85-035 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-634 % similar tert-Butylcyclohexane3178-22-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook