1-[2-(trimethylsilyl)ethynyl]isoquinoline

• ChemBase ID: 292962
• Molecular Formular: C14H15NSi
• Molecular Mass: 225.3611
• Monoisotopic Mass: 225.09737602
• SMILES: C[Si](C)(C)C#Cc1nccc2c1cccc2
• Canonical SMILES: C[Si](C#Cc1nccc2c1cccc2)(C)C
• InChI: InChI=1S/C14H15NSi/c1-16(2,3)11-9-14-13-7-5-4-6-12(13)8-10-15-14/h4-8,10H,1-3H3
• InChIKey: UCIUBLLCEWITIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(trimethylsilyl)ethynyl]isoquinoline
• IUPAC Traditional name: 1-[2-(trimethylsilyl)ethynyl]isoquinoline
• Synonyms: 1-((Trimethylsilyl)ethynyl)isoquinoline

Database IDs

• CAS Number: 86521-10-0
• PubChem SID: 180678493
• PubChem CID: 13081739

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1195183
• LogD (pH = 7.4): 4.134999
• Log P: 4.1352
• Molar Refractivity: 60.2159 cm^3
• Polarizability: 28.070736 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%