1-(tert-butyldimethylsilyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

• ChemBase ID: 815332
• Molecular Formular: C20H32BNO2Si
• Molecular Mass: 357.37008
• Monoisotopic Mass: 357.2295362
• SMILES: c1c(c2ccccc2n1[Si](C)(C)C(C)(C)C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cn(c2c1cccc2)[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C20H32BNO2Si/c1-18(2,3)25(8,9)22-14-16(15-12-10-11-13-17(15)22)21-23-19(4,5)20(6,7)24-21/h10-14H,1-9H3
• InChIKey: WFPVBPZXBFDFDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(tert-butyldimethylsilyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• IUPAC Traditional name: 1-(tert-butyldimethylsilyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole
• Synonyms: 1-(tert-butyldimethylsilyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Database IDs

• CAS Number: 1111096-51-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9039
• LogD (pH = 7.4): 5.9039
• Log P: 5.9039
• Molar Refractivity: 98.4728 cm^3
• Polarizability: 43.250668 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%