chempirical

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
BOO
AlkeneBoronic 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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