2-methyl-6-[2-(trimethylsilyl)ethynyl]quinoline

• ChemBase ID: 243179
• Molecular Formular: C15H17NSi
• Molecular Mass: 239.38768
• Monoisotopic Mass: 239.11302608
• SMILES: C(#Cc1cc2c(nc(cc2)C)cc1)[Si](C)(C)C
• Canonical SMILES: Cc1ccc2c(n1)ccc(c2)C#C[Si](C)(C)C
• InChI: InChI=1S/C15H17NSi/c1-12-5-7-14-11-13(6-8-15(14)16-12)9-10-17(2,3)4/h5-8,11H,1-4H3
• InChIKey: LNIBCGCWBHXULV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578611
• PubChem SID: 164299089
• PubChem CID: 67324008

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1314936
• LogD (pH = 7.4): 4.303095
• Log P: 4.3058
• Molar Refractivity: 64.8074 cm^3
• Polarizability: 29.83423 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.019

Product Information

• Purity: 95%