6-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine

• ChemBase ID: 44946
• Molecular Formular: C14H21NO2Si
• Molecular Mass: 263.40754
• Monoisotopic Mass: 263.13415545
• SMILES: c1(cnc2c(c1)occ2)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OCc1cnc2c(c1)occ2)C
• InChI: InChI=1S/C14H21NO2Si/c1-14(2,3)18(4,5)17-10-11-8-13-12(15-9-11)6-7-16-13/h6-9H,10H2,1-5H3
• InChIKey: CNBRWQURLQCTGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine
• IUPAC Traditional name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine
• Synonyms: 6-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine; 6-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridine; 6-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1171920-21-0
• MDL Number: MFCD12401655
• PubChem SID: 162049709
• PubChem CID: 46737911

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4397132
• LogD (pH = 7.4): 3.4407864
• Log P: 3.4408
• Molar Refractivity: 69.0342 cm^3
• Polarizability: 30.33264 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C14H21NO2Si

DETAILS

Sigma Aldrich - ADE001147

Other Notes
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