{2-[(6-butoxynaphthalen-2-yl)dimethylsilyl]phenyl}methanol

• ChemBase ID: 298088
• Molecular Formular: C23H28O2Si
• Molecular Mass: 364.55272
• Monoisotopic Mass: 364.18585667
• SMILES: CCCCOc1ccc2cc(ccc2c1)[Si](C)(C)c1ccccc1CO
• Canonical SMILES: CCCCOc1ccc2c(c1)ccc(c2)[Si](c1ccccc1CO)(C)C
• InChI: InChI=1S/C23H28O2Si/c1-4-5-14-25-21-12-10-19-16-22(13-11-18(19)15-21)26(2,3)23-9-7-6-8-20(23)17-24/h6-13,15-16,24H,4-5,14,17H2,1-3H3
• InChIKey: PNUSUXRQEUFSAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(6-butoxynaphthalen-2-yl)dimethylsilyl]phenyl}methanol
• IUPAC Traditional name: {2-[(6-butoxynaphthalen-2-yl)dimethylsilyl]phenyl}methanol
• Synonyms: 2-[(6-n-Butoxy-2-naphthyl)dimethylsilyl]benzyl alcohol; 萘基2-[(6-正丁氧基-2-萘基)二甲基硅烷基]苯甲醇

Database IDs

• MDL Number: MFCD16658878
• PubChem SID: 180683619
• PubChem CID: 71306655

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.112
• LogD (pH = 7.4): 6.112
• Log P: 6.112
• Molar Refractivity: 105.6497 cm^3
• Polarizability: 44.63337 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%