1-bromo-5-methoxypentane

• ChemBase ID: 276221
• Molecular Formular: C6H13BrO
• Molecular Mass: 181.07082
• Monoisotopic Mass: 180.01497704
• SMILES: BrCCCCCOC
• Canonical SMILES: BrCCCCCOC
• InChI: InChI=1S/C6H13BrO/c1-8-6-4-2-3-5-7/h2-6H2,1H3
• InChIKey: RGZWCZXZKRRAHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-5-methoxypentane
• IUPAC Traditional name: 1-bromo-5-methoxypentane
• Synonyms: 1-bromo-5-methoxypentane

Database IDs

• MDL Number: MFCD07780191
• PubChem SID: 164332131
• PubChem CID: 542342

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9964256
• LogD (pH = 7.4): 1.9964256
• Log P: 1.9964256
• Molar Refractivity: 39.4503 cm^3
• Polarizability: 15.226743 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.921

Product Information

• Purity: 95%