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

• ChemBase ID: 91474
• Molecular Formular: C14H23BrOSi
• Molecular Mass: 315.32132
• Monoisotopic Mass: 314.07015389
• SMILES: [Si](C)(OCCc1ccccc1Br)(C)C(C)(C)C
• Canonical SMILES: Brc1ccccc1CCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H23BrOSi/c1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h6-9H,10-11H2,1-5H3
• InChIKey: PHFIKLUHTYXQSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromophenyl)ethoxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [2-(2-bromophenyl)ethoxy](tert-butyl)dimethylsilane
• Synonyms: (2-Bromophenethoxy)(tert-butyl)dimethylsilane; 2-(2-tert-Butyldimethylsilyloxyethyl)bromobenzene 98%

Database IDs

• CAS Number: 181021-20-5
• MDL Number: MFCD09258648
• PubChem SID: 162078173
• PubChem CID: 10757710

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: 31.30286 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant