[2-(3-bromophenyl)ethoxy](tert-butyl)dimethylsilane

• ChemBase ID: 87773
• Molecular Formular: C14H23BrOSi
• Molecular Mass: 315.32132
• Monoisotopic Mass: 314.07015389
• SMILES: [Si](C)(OCCc1cccc(c1)Br)(C)C(C)(C)C
• Canonical SMILES: Brc1cccc(c1)CCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-10-9-12-7-6-8-13(15)11-12/h6-8,11H,9-10H2,1-5H3
• InChIKey: HRFLXGYDQUBZCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-bromophenyl)ethoxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [2-(3-bromophenyl)ethoxy](tert-butyl)dimethylsilane
• Synonyms: (3-Bromophenethoxy)(tert-butyl)dimethylsilane; 1-Bromo-3-[2-(tert-butyldimethylsilyloxy)ethyl]benzene 98%

Database IDs

• CAS Number: 249937-07-3
• MDL Number: MFCD09027279
• PubChem SID: 162074813
• PubChem CID: 11515183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1183
• LogD (pH = 7.4): 5.1183
• Log P: 5.1183
• Molar Refractivity: 75.0998 cm^3
• Polarizability: 31.301527 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant