{1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}boronic acid

• ChemBase ID: 811324
• Molecular Formular: C17H28BNO2Si
• Molecular Mass: 317.30622
• Monoisotopic Mass: 317.19823607
• SMILES: B(O)(O)c1cn(c2c1cccc2)[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: OB(c1cn(c2c1cccc2)[Si](C(C)C)(C(C)C)C(C)C)O
• InChI: InChI=1S/C17H28BNO2Si/c1-12(2)22(13(3)4,14(5)6)19-11-16(18(20)21)15-9-7-8-10-17(15)19/h7-14,20-21H,1-6H3
• InChIKey: UWIXBYHAFCWSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}boronic acid
• IUPAC Traditional name: 1-(triisopropylsilyl)indol-3-ylboronic acid
• Synonyms: 1-(TRIISOPROPYLSILYL)-1H-INDOLE-3-BORONIC ACID

Database IDs

• CAS Number: 208655-73-6

CALCULATED PROPERTIES

• Acid pKa: 8.54862
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.970314
• LogD (pH = 7.4): 4.941057
• Log P: 4.9707
• Molar Refractivity: 86.9764 cm^3
• Polarizability: 38.30053 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%