trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane

• ChemBase ID: 302200
• Molecular Formular: C16H22Si2
• Molecular Mass: 270.51688
• Monoisotopic Mass: 270.12600377
• SMILES: C[Si](C)(C)C#Cc1cccc(c1)C#C[Si](C)(C)C
• Canonical SMILES: C[Si](C#Cc1cccc(c1)C#C[Si](C)(C)C)(C)C
• InChI: InChI=1S/C16H22Si2/c1-17(2,3)12-10-15-8-7-9-16(14-15)11-13-18(4,5)6/h7-9,14H,1-6H3
• InChIKey: ASZOZZMGMNVKDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
• IUPAC Traditional name: trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
• Synonyms: 1,3-Bis[(trimethylsilyl)ethynyl]benzene; 1,3-双[(三甲基硅基)乙炔基 ]苯

Database IDs

• CAS Number: 38170-80-8
• MDL Number: MFCD00078305
• Beilstein Number: 2845239

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.045
• LogD (pH = 7.4): 6.045
• Log P: 6.045
• Molar Refractivity: 66.5312 cm^3
• Polarizability: 32.433098 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 57-59°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%