[(2-bromoethoxy)methyl]cyclopropane

• ChemBase ID: 278396
• Molecular Formular: C6H11BrO
• Molecular Mass: 179.05494
• Monoisotopic Mass: 177.99932697
• SMILES: C1CC1COCCBr
• Canonical SMILES: BrCCOCC1CC1
• InChI: InChI=1S/C6H11BrO/c7-3-4-8-5-6-1-2-6/h6H,1-5H2
• InChIKey: NUCYWTUUCLZIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11136686
• PubChem SID: 164334306
• PubChem CID: 28413996

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7551118
• LogD (pH = 7.4): 1.7551118
• Log P: 1.7551118
• Molar Refractivity: 37.2813 cm^3
• Polarizability: 14.539098 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.517

Product Information

• Purity: 95%