4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C₁₈H₂₈B₂O₄CAS 196212-27-8330.04 g/mol

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Properties

Molecular formula: C₁₈H₂₈B₂O₄
Molar mass: 330.04 g/mol
Exact mass: 330.2174 Da
logP: 2.28Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

196212-27-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)B3OC(C(O3)(C)C)(C)C

InChIKey

LLQQCDJVSYEQQQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3

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Names and synonyms

1 names

1,3-Phenyldiboronic acid, bis(pinacol) ester

Work with 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-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-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-672 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-570 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-368 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-066 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-362 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-762 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide188665-74-962 % similar 3-Carboxyphenylboronic acid pinacol ester269409-73-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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