2-(2-bromoethyl)-2-methyl-1,3-dioxolane

• ChemBase ID: 277862
• Molecular Formular: C6H11BrO2
• Molecular Mass: 195.05434
• Monoisotopic Mass: 193.99424159
• SMILES: C1(OCCO1)(CCBr)C
• Canonical SMILES: BrCCC1(C)OCCO1
• InChI: InChI=1S/C6H11BrO2/c1-6(2-3-7)8-4-5-9-6/h2-5H2,1H3
• InChIKey: SZLPRRVCSGZARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)-2-methyl-1,3-dioxolane
• IUPAC Traditional name: 2-(2-bromoethyl)-2-methyl-1,3-dioxolane
• Synonyms: 2-(2-bromoethyl)-2-methyl-1,3-dioxolane

Database IDs

• MDL Number: MFCD00191321
• PubChem SID: 164333772
• PubChem CID: 11805619

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.600278
• LogD (pH = 7.4): 1.600278
• Log P: 1.600278
• Molar Refractivity: 38.625 cm^3
• Polarizability: 15.323794 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.322

Product Information

• Purity: 95%