2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₂H₂₁BO₂CAS 141091-37-4208.11 g/mol

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Alkene Boronic ester

Properties

Molecular formula: C₁₂H₂₁BO₂
Molar mass: 208.11 g/mol
Exact mass: 208.1635 Da
logP: 3.12Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

141091-37-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2

InChIKey

QNZFUMVTUFOLRT-UHFFFAOYSA-N

InChI

InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3

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Names and synonyms

1 names

Cyclohexene-1-boronic acid pinacol ester

Work with 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester287944-16-556 % similar 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-307531-74-454 % similar 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1227068-84-951 % similar 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester454482-11-251 % similar 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene680596-79-650 % similar 1-Cyclohexenylboronic acid89490-05-144 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-542 % similar tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate1121057-77-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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