3-{[(tert-butyldimethylsilyl)oxy]methyl}-1-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}pyrrolidine

• ChemBase ID: 50658
• Molecular Formular: C22H38N2O2Si2
• Molecular Mass: 418.72032
• Monoisotopic Mass: 418.24718153
• SMILES: c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OCC1CCN(C1)Cc1cnc2c(c1)oc(c2)[Si](C)(C)C)C
• InChI: InChI=1S/C22H38N2O2Si2/c1-22(2,3)28(7,8)25-16-17-9-10-24(14-17)15-18-11-20-19(23-13-18)12-21(26-20)27(4,5)6/h11-13,17H,9-10,14-16H2,1-8H3
• InChIKey: FYIVFWBKWAFZGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(tert-butyldimethylsilyl)oxy]methyl}-1-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}pyrrolidine
• IUPAC Traditional name: 3-{[(tert-butyldimethylsilyl)oxy]methyl}-1-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}pyrrolidine
• Synonyms: 6-((3-((tert-Butyldimethylsilyloxy)methyl)pyrrolid in-1-yl)methyl)-2-(trimethylsilyl)furo[3,2-b]pyrid; 6-((3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)methyl)-2-(trimethylsilyl)furo[3,2-b]pyridine; 6-((3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)methyl)-2-(trimethylsilyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1188993-09-0
• MDL Number: MFCD13176659
• PubChem SID: 162055421
• PubChem CID: 46737952

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.379615
• LogD (pH = 7.4): 4.182857
• Log P: 5.0164
• Molar Refractivity: 109.9204 cm^3
• Polarizability: 48.80584 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C22H38N2O2Si2

DETAILS

Sigma Aldrich - ADE001197

Other Notes
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