(2-{dimethyl[(E)-2-phenylethenyl]silyl}phenyl)methanol

• ChemBase ID: 295134
• Molecular Formular: C17H20OSi
• Molecular Mass: 268.4256
• Monoisotopic Mass: 268.12834179
• SMILES: C[Si](C)(/C=C/c1ccccc1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](/C=C/c1ccccc1)(C)C
• InChI: InChI=1S/C17H20OSi/c1-19(2,13-12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)14-18/h3-13,18H,14H2,1-2H3/b13-12+
• InChIKey: GCIMKPAONMBQOW-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{dimethyl[(E)-2-phenylethenyl]silyl}phenyl)methanol
• IUPAC Traditional name: (2-{dimethyl[(E)-2-phenylethenyl]silyl}phenyl)methanol
• Synonyms: 2-[Dimethyl(beta-styryl)silyl]benzyl alcohol; 2-[二甲基(beta-苯乙烯基)硅烷基]苄醇

Database IDs

• CAS Number: 853955-63-2
• MDL Number: MFCD16293896
• PubChem SID: 180680665
• PubChem CID: 11989414

CALCULATED PROPERTIES

• Acid pKa: 15.014305
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.9005
• LogD (pH = 7.4): 4.9005
• Log P: 4.9005
• Molar Refractivity: 78.6392 cm^3
• Polarizability: 32.570908 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%