2-[(2-bromoethoxy)methyl]oxane

• ChemBase ID: 278876
• Molecular Formular: C8H15BrO2
• Molecular Mass: 223.1075
• Monoisotopic Mass: 222.02554172
• SMILES: O1C(COCCBr)CCCC1
• Canonical SMILES: BrCCOCC1CCCCO1
• InChI: InChI=1S/C8H15BrO2/c9-4-6-10-7-8-3-1-2-5-11-8/h8H,1-7H2
• InChIKey: HYKIMIVKNMYPNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09814347
• PubChem SID: 164334786
• PubChem CID: 24688753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8376923
• LogD (pH = 7.4): 1.8376923
• Log P: 1.8376923
• Molar Refractivity: 48.195 cm^3
• Polarizability: 18.919374 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.616

Product Information

• Purity: 95%