Cyclopentylboronic acid

C₅H₁₁BO₂CAS 63076-51-7113.95 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₅H₁₁BO₂
Molar mass: 113.95 g/mol
Exact mass: 114.0852 Da
logP: 0.40Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63076-51-7

SMILES

B(C1CCCC1)(O)O

InChIKey

VTTDFSNKIMAQTB-UHFFFAOYSA-N

InChI

InChI=1S/C5H11BO2/c7-6(8)5-3-1-2-4-5/h5,7-8H,1-4H2

Weigh it out

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

Work with Cyclopentylboronic 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

B-Cyclohexylboronic acid4441-56-993 % similar Cyclobutylboronic acid849052-26-287 % similar Cyclopropylboronic acid411235-57-973 % similar 9-Borabicyclo[3.3.1]nonane dimer21205-91-439 % similar trans-1,2-Cyclohexanediol1460-57-732 % similar cis-1,2-Cyclohexanediol1792-81-032 % similar Cyclohexane-1,2-diol931-17-932 % similar Cyclopentanol96-41-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Pentenylboronic acid104376-24-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook