6-(prop-2-en-1-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine

• ChemBase ID: 50656
• Molecular Formular: C13H17NOSi
• Molecular Mass: 231.36568
• Monoisotopic Mass: 231.1079407
• SMILES: c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CC=C
• Canonical SMILES: C=CCc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C13H17NOSi/c1-5-6-10-7-12-11(14-9-10)8-13(15-12)16(2,3)4/h5,7-9H,1,6H2,2-4H3
• InChIKey: KSIXFIRSSFJEIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(prop-2-en-1-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine
• IUPAC Traditional name: 6-(prop-2-en-1-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine
• Synonyms: 6-Allyl-2-(trimethylsilyl)furo[3,2-b]pyridine; 6-Allyl-2-(trimethylsilyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1203499-15-3
• MDL Number: MFCD13176657
• PubChem SID: 162055419
• PubChem CID: 46737951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9835842
• LogD (pH = 7.4): 3.9845872
• Log P: 3.9846
• Molar Refractivity: 61.9744 cm^3
• Polarizability: 27.588583 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C13H17NOSi

DETAILS

Sigma Aldrich - ADE001195

Other Notes
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