tert-butyl N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)carbamate

• ChemBase ID: 44968
• Molecular Formular: C19H30N2O4Si
• Molecular Mass: 378.538
• Monoisotopic Mass: 378.19748398
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)NC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)Nc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H30N2O4Si/c1-18(2,3)25-17(22)21-13-9-16-15(20-11-13)10-14(24-16)12-23-26(7,8)19(4,5)6/h9-11H,12H2,1-8H3,(H,21,22)
• InChIKey: TXWQHLHPCRNXFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)carbamate
• Synonyms: tert-Butyl 2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-ylcarbamate; tert-Butyl 2-((tert-butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-6-ylcarbamate; tert-Butyl 2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-ylcarbamate

Database IDs

• CAS Number: 1171920-60-7
• MDL Number: MFCD12922793
• PubChem SID: 162049731
• PubChem CID: 46737933

CALCULATED PROPERTIES

• Acid pKa: 12.23706
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9894776
• LogD (pH = 7.4): 3.9895923
• Log P: 3.9896
• Molar Refractivity: 99.2039 cm^3
• Polarizability: 41.42637 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C19H30N2O4Si

DETAILS

Sigma Aldrich - ADE001173

Other Notes
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