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

• ChemBase ID: 50661
• Molecular Formular: C16H23NO3Si
• Molecular Mass: 305.44422
• Monoisotopic Mass: 305.14472013
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H23NO3Si/c1-11(18)12-7-15-14(17-9-12)8-13(20-15)10-19-21(5,6)16(2,3)4/h7-9H,10H2,1-6H3
• InChIKey: SELVQOQQZHBJAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)ethan-1-one
• IUPAC Traditional name: 1-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)ethanone
• Synonyms: 1-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)ethanone; 1-(2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-6-yl)ethanone; 1-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)ethanone

Database IDs

• CAS Number: 1203499-37-9
• MDL Number: MFCD13563102
• PubChem SID: 162055424
• PubChem CID: 46318206

CALCULATED PROPERTIES

• Acid pKa: 15.40764
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5134432
• LogD (pH = 7.4): 2.5134993
• Log P: 2.5135
• Molar Refractivity: 79.3145 cm^3
• Polarizability: 34.066025 Å^3
• Polar Surface Area: 52.33 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): C16H23NO3Si

DETAILS

Sigma Aldrich - ADE001201

Other Notes
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