ethyl 2-bromo-2-(trimethylsilyl)acetate

• ChemBase ID: 83275
• Molecular Formular: C7H15BrO2Si
• Molecular Mass: 239.1823
• Monoisotopic Mass: 238.00246825
• SMILES: [Si](C(C(=O)OCC)Br)(C)(C)C
• Canonical SMILES: CCOC(=O)C([Si](C)(C)C)Br
• InChI: InChI=1S/C7H15BrO2Si/c1-5-10-7(9)6(8)11(2,3)4/h6H,5H2,1-4H3
• InChIKey: VJHUIXYRWUFRAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-bromo-2-(trimethylsilyl)acetate
• IUPAC Traditional name: ethyl 2-bromo-2-(trimethylsilyl)acetate
• Synonyms: ethyl 2-bromo-2-(1,1,1-trimethylsilyl)acetate

Database IDs

• MDL Number: MFCD00102538
• PubChem SID: 162070394
• PubChem CID: 2779987

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1126
• LogD (pH = 7.4): 3.1126
• Log P: 3.1126
• Molar Refractivity: 45.1792 cm^3
• Polarizability: 20.152576 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true