2-[(2-bromoethoxy)methyl]oxolane

• ChemBase ID: 278420
• Molecular Formular: C7H13BrO2
• Molecular Mass: 209.08092
• Monoisotopic Mass: 208.00989166
• SMILES: O1C(COCCBr)CCC1
• Canonical SMILES: BrCCOCC1CCCO1
• InChI: InChI=1S/C7H13BrO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6H2
• InChIKey: SVWDVYJZNRPALE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-bromoethoxy)methyl]oxolane
• IUPAC Traditional name: 2-[(2-bromoethoxy)methyl]oxolane
• Synonyms: 2-[(2-bromoethoxy)methyl]oxolane

Database IDs

• MDL Number: MFCD09811373
• PubChem SID: 164334330
• PubChem CID: 24689342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3931236
• LogD (pH = 7.4): 1.3931236
• Log P: 1.3931236
• Molar Refractivity: 43.594 cm^3
• Polarizability: 17.118332 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.187

Product Information

• Purity: 95%