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

• ChemBase ID: 44958
• Molecular Formular: C17H29NO2Si2
• Molecular Mass: 335.58866
• Monoisotopic Mass: 335.17368224
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)[Si](C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OCc1cc2c(o1)cc(cn2)[Si](C)(C)C)C
• InChI: InChI=1S/C17H29NO2Si2/c1-17(2,3)22(7,8)19-12-13-9-15-16(20-13)10-14(11-18-15)21(4,5)6/h9-11H,12H2,1-8H3
• InChIKey: IVHXBVMEXOGGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1171920-41-4
• MDL Number: MFCD12922785
• PubChem SID: 162049721
• PubChem CID: 46737923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7884564
• LogD (pH = 7.4): 4.7895856
• Log P: 4.7896
• Molar Refractivity: 84.9753 cm^3
• Polarizability: 38.792763 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C17H29NO2Si2

DETAILS

Sigma Aldrich - ADE001163

Other Notes
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