trimethyl(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane

• ChemBase ID: 147660
• Molecular Formular: C16H22Si2
• Molecular Mass: 270.51688
• Monoisotopic Mass: 270.12600377
• SMILES: C[Si](C)(C)C#Cc1ccc(cc1)C#C[Si](C)(C)C
• Canonical SMILES: C[Si](C#Cc1ccc(cc1)C#C[Si](C)(C)C)(C)C
• InChI: InChI=1S/C16H22Si2/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6/h7-10H,1-6H3
• InChIKey: CMTMWEXUJQSPCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
• IUPAC Traditional name: trimethyl(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
• Synonyms: 1,4-Bis[(trimethylsilyl)ethynyl]benzene; 1,4-双[(三甲基硅基)乙炔基]苯; 1,4-双[(三甲基甲硅烷基)乙炔]苯

Database IDs

• CAS Number: 17938-13-5
• EC Number: 000-000-0
• MDL Number: MFCD00135433
• Beilstein Number: 2840618
• PubChem SID: 162241847; 24869948
• PubChem CID: 522492

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: 32.43229 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 119-121°C; 121-123 °C(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: C6H4[C≡CSi(CH3)3]2

DETAILS

Sigma Aldrich - 462179

Packaging
1, 5 g in glass bottle