2-(2-bromoethoxy)propane

• ChemBase ID: 233055
• Molecular Formular: C5H11BrO
• Molecular Mass: 167.04424
• Monoisotopic Mass: 165.99932697
• SMILES: BrCCOC(C)C
• Canonical SMILES: BrCCOC(C)C
• InChI: InChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
• InChIKey: KYKUZTBLYLKPIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)propane
• IUPAC Traditional name: 2-(2-bromoethoxy)propane
• Synonyms: 2-(2-bromoethoxy)propane

Database IDs

• CAS Number: 54149-16-5
• MDL Number: MFCD07700570
• PubChem SID: 164288965
• PubChem CID: 3830823

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7479175
• LogD (pH = 7.4): 1.7479175
• Log P: 1.7479175
• Molar Refractivity: 34.5067 cm^3
• Polarizability: 13.428366 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.382

Product Information

• Purity: 95%; 95+%