1-Cyclohexenylboronic acid

C₆H₁₁BO₂CAS 89490-05-1125.96 g/mol

Open in Covalent MOL file

Alkene Boronic acid

Properties

Molecular formula: C₆H₁₁BO₂
Molar mass: 125.96 g/mol
Exact mass: 126.0852 Da
logP: 0.50Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89490-05-1

SMILES

B(C1=CCCCC1)(O)O

InChIKey

XZWQKJXJNKYMAP-UHFFFAOYSA-N

InChI

InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2

Weigh it out

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

Work with 1-Cyclohexenylboronic 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

Cyclopenten-1-ylboronic acid850036-28-186 % similar 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane141091-37-444 % similar Methylcyclohexene591-49-137 % similar 1-Chlorocyclohexene930-66-537 % similar 1-Cyclohexene-1-carboxylic acid636-82-835 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-734 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-133 % similar 1-Cyclohexene-1-acetic acid18294-87-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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