chempirical

2-(4-(tert-Butyl)naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H27BO2CAS 2217657-10-6310.24 g/mol

Open in Covalent MOL file
BOO
Boronic ester

Properties

Molecular formula
C20H27BO2
Molar mass
310.24 g/mol
Exact mass
310.2104 Da
logP
4.44Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
2217657-10-6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3C(=C2)C(C)(C)C
InChIKey
HNJXYGUFBXLHNW-UHFFFAOYSA-N
InChI
InChI=1S/C20H27BO2/c1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21/h8-13H,1-7H3

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Work with 2-(4-(tert-Butyl)naphthalen-2-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

4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-758 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-454 % similar Quinoline-3-boronic acid pinacolate171364-85-551 % similar Phenylboronic acid pinacol ester24388-23-650 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-250 % similar 2-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-950 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-849 % similar 9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-148 % similar

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

Elsewhere

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