methyl 3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate

• ChemBase ID: 44972
• Molecular Formular: C18H25NO4Si
• Molecular Mass: 347.4809
• Monoisotopic Mass: 347.15528482
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)/C=C/C(=O)OC
• Canonical SMILES: COC(=O)/C=C/c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C18H25NO4Si/c1-18(2,3)24(5,6)22-12-14-10-15-16(23-14)9-13(11-19-15)7-8-17(20)21-4/h7-11H,12H2,1-6H3/b8-7+
• InChIKey: YJKDRRBSPXEGHX-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate; methyl (2E)-3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate
• IUPAC Traditional name: methyl 3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate; methyl (2E)-3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate
• Synonyms: (E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)acrylate; (E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)-methyl)furo[3,2-b]pyridin-6-yl)acrylate; (E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)acrylate

Database IDs

• CAS Number: 1189171-55-8
• MDL Number: MFCD12922797
• PubChem SID: 162049735
• PubChem CID: 46737937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2906947
• LogD (pH = 7.4): 4.2911935
• Log P: 4.2912
• Molar Refractivity: 90.6827 cm^3
• Polarizability: 38.288376 Å^3
• Polar Surface Area: 61.56 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): C18H25NO4Si

DETAILS

Sigma Aldrich - ADE001177

Other Notes
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