(4-bromobutoxy)cyclohexane

• ChemBase ID: 272554
• Molecular Formular: C10H19BrO
• Molecular Mass: 235.16126
• Monoisotopic Mass: 234.06192723
• SMILES: BrCCCCOC1CCCCC1
• Canonical SMILES: BrCCCCOC1CCCCC1
• InChI: InChI=1S/C10H19BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10H,1-9H2
• InChIKey: UEFLTNYXNXMBOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromobutoxy)cyclohexane
• IUPAC Traditional name: (4-bromobutoxy)cyclohexane
• Synonyms: (4-bromobutoxy)cyclohexane

Database IDs

• MDL Number: MFCD11213811
• PubChem SID: 164328464
• PubChem CID: 20214109

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3511274
• LogD (pH = 7.4): 3.3511274
• Log P: 3.3511274
• Molar Refractivity: 55.8635 cm^3
• Polarizability: 21.780355 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.283

Product Information

• Purity: 95%