6-[2-(trimethylsilyl)ethynyl]quinoline

• ChemBase ID: 292793
• Molecular Formular: C14H15NSi
• Molecular Mass: 225.3611
• Monoisotopic Mass: 225.09737602
• SMILES: C[Si](C)(C)C#Cc1cc2c(cc1)nccc2
• Canonical SMILES: C[Si](C#Cc1ccc2c(c1)cccn2)(C)C
• InChI: InChI=1S/C14H15NSi/c1-16(2,3)10-8-12-6-7-14-13(11-12)5-4-9-15-14/h4-7,9,11H,1-3H3
• InChIKey: HPUIGADZNDDKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(trimethylsilyl)ethynyl]quinoline
• IUPAC Traditional name: 6-[2-(trimethylsilyl)ethynyl]quinoline
• Synonyms: 6-((Trimethylsilyl)ethynyl)quinoline

Database IDs

• CAS Number: 683774-32-5
• PubChem SID: 180678324
• PubChem CID: 70700981

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0887604
• LogD (pH = 7.4): 4.13458
• Log P: 4.1352
• Molar Refractivity: 60.2159 cm^3
• Polarizability: 28.070805 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%