trimethyl[4-(2-phenylethynyl)phenyl]silane

• ChemBase ID: 296165
• Molecular Formular: C17H18Si
• Molecular Mass: 250.41032
• Monoisotopic Mass: 250.11777711
• SMILES: C[Si](C)(C)c1ccc(cc1)C#Cc1ccccc1
• Canonical SMILES: C[Si](c1ccc(cc1)C#Cc1ccccc1)(C)C
• InChI: InChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
• InChIKey: UZRJWRFLYPENFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[4-(2-phenylethynyl)phenyl]silane
• IUPAC Traditional name: trimethyl[4-(2-phenylethynyl)phenyl]silane
• Synonyms: 1-(2-Phenylethynyl)-4-(trimethylsilyl)benzene; Trimethyl[4-(phenylethynyl)phenyl]silane; 4-(Trimethylsilyl)diphenylacetylene; 4-(三甲硅基)二苯乙炔

Database IDs

• CAS Number: 136459-72-8
• MDL Number: MFCD09953470
• PubChem SID: 180681696
• PubChem CID: 21093331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6182
• LogD (pH = 7.4): 5.6182
• Log P: 5.6182
• Molar Refractivity: 69.9582 cm^3
• Polarizability: 31.038752 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 37-39°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%