4,4,5,5-Tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane

C₁₄H₁₉BO₂CAS 83947-56-2230.11 g/mol

Open in Covalent MOL file

Alkene Boronic ester

Properties

Molecular formula: C₁₄H₁₉BO₂
Molar mass: 230.11 g/mol
Exact mass: 230.1478 Da
logP: 3.33Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83947-56-2

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2

InChIKey

ARAINKADEARZLZ-ZHACJKMWSA-N

InChI

InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+

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Names and synonyms

1 names

trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styrene

Work with 4,4,5,5-Tetramethyl-2-((E)-2-phenylethenyl)-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

Benzylboronic acid pinacol ester87100-28-547 % similar Phenylboronic acid pinacol ester24388-23-647 % similar Styrylboronic acid6783-05-744 % similar (Z)-1,2-Diphenyl-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethene151416-94-343 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-442 % similar (E)-Stilbene103-30-041 % similar (Z)-Stilbene645-49-841 % similar β-Methylstyrene637-50-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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