(2-bromoethoxy)cyclohexane

• ChemBase ID: 256390
• Molecular Formular: C8H15BrO
• Molecular Mass: 207.1081
• Monoisotopic Mass: 206.0306271
• SMILES: BrCCOC1CCCCC1
• Canonical SMILES: BrCCOC1CCCCC1
• InChI: InChI=1S/C8H15BrO/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
• InChIKey: RIEJARKPVINFOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09815847
• PubChem SID: 164312300
• PubChem CID: 15752645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7738051
• LogD (pH = 7.4): 2.7738051
• Log P: 2.7738051
• Molar Refractivity: 46.3535 cm^3
• Polarizability: 18.149313 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.575

Product Information

• Purity: 95%