B-Cyclohexylboronic acid

C6H13BO2CAS 4441-56-9127.98 g/mol

Open in Covalent MOL file
HOBHO
Boronic acid

Properties

Molecular formula
C6H13BO2
Molar mass
127.98 g/mol
Exact mass
128.1009 Da
Melting point
115–116 °C
logP
0.79Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
4441-56-9
SMILES
OB(O)C1CCCCC1
InChIKey
XDRVAZAFNWDVOE-UHFFFAOYSA-N
InChI
InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2

Weigh it out

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

Names and synonyms

6 names
  • Boronic acid, B-cyclohexyl-
  • Cyclohexaneboronic acid
  • Boronic acid, cyclohexyl-
  • Cyclohexylboronic acid
  • Cyclohexylboric acid
  • Cyclohexylboronic Acid (contains varying amounts of Anhydride)

Work with B-Cyclohexylboronic acid

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

Cyclopentylboronic acid63076-51-793 % similar Cyclobutylboronic acid849052-26-281 % similar Cyclopropylboronic acid411235-57-969 % similar 9-Borabicyclo[3.3.1]nonane dimer21205-91-437 % similar Cyclohexanol108-93-035 % similar Cyclododecanol1724-39-635 % similar Cycloheptanol502-41-035 % similar Cyclooctanol696-71-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pinacolborane25015-63-8 B-(1E)-1-Hexenylboronic acid42599-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook