6-[(tert-butyldimethylsilyl)oxy]-1H-indole

• ChemBase ID: 71436
• Molecular Formular: C14H21NOSi
• Molecular Mass: 247.40814
• Monoisotopic Mass: 247.13924083
• SMILES: [Si](Oc1cc2[nH]ccc2cc1)(C(C)(C)C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(Oc1ccc2c(c1)[nH]cc2)C
• InChI: InChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-12-7-6-11-8-9-15-13(11)10-12/h6-10,15H,1-5H3
• InChIKey: DXVRGWFZTYZCFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(tert-butyldimethylsilyl)oxy]-1H-indole
• IUPAC Traditional name: 6-[(tert-butyldimethylsilyl)oxy]-1H-indole
• Synonyms: 6-[(tert-Butyldimethylsilyl)oxy]-1H-indole

Database IDs

• CAS Number: 106792-41-0
• MDL Number: MFCD02683922
• PubChem SID: 162037026
• PubChem CID: 22250816

CALCULATED PROPERTIES

• Acid pKa: 16.416927
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0813
• LogD (pH = 7.4): 4.0813
• Log P: 4.0813
• Molar Refractivity: 68.9735 cm^3
• Polarizability: 30.240229 Å^3
• Polar Surface Area: 25.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >97%; 97%