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

• ChemBase ID: 140732
• Molecular Formular: C12H16OSi
• Molecular Mass: 204.34034
• Monoisotopic Mass: 204.09704166
• SMILES: C[Si](C)(C)C#Cc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)C#C[Si](C)(C)C
• InChI: InChI=1S/C12H16OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,13H,10H2,1-3H3
• InChIKey: WBNXRSFSSANBSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(trimethylsilyl)ethynyl]phenyl}methanol
• IUPAC Traditional name: {4-[2-(trimethylsilyl)ethynyl]phenyl}methanol
• Synonyms: (4-Trimethylsilanylethynylphenyl)methanol; 4-(Trimethylsilylethynyl)benzyl alcohol; (4-三甲基硅烷乙炔基苯基)甲醇; 4-(三甲基硅基乙炔基)苄醇

Database IDs

• CAS Number: 275386-60-2
• MDL Number: MFCD08457640
• PubChem SID: 24884973; 162234972
• PubChem CID: 11241165

CALCULATED PROPERTIES

• Acid pKa: 15.016907
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2105
• LogD (pH = 7.4): 3.2105
• Log P: 3.2105
• Molar Refractivity: 53.1105 cm^3
• Polarizability: 23.826616 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-72 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H16OSi

DETAILS

Sigma Aldrich - 668273

Packaging
1, 5 g in glass bottle