1-bromo-4-methylpent-2-ene

• ChemBase ID: 246558
• Molecular Formular: C6H11Br
• Molecular Mass: 163.05554
• Monoisotopic Mass: 162.00441235
• SMILES: C(=C\CBr)/C(C)C
• Canonical SMILES: BrC/C=C/C(C)C
• InChI: InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3-4,6H,5H2,1-2H3
• InChIKey: QNJFJRMDXIBMKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-methylpent-2-ene
• IUPAC Traditional name: 1-bromo-4-methylpent-2-ene
• Synonyms: 1-bromo-4-methylpent-2-ene

Database IDs

• MDL Number: MFCD20621312
• PubChem SID: 164302468
• PubChem CID: 11344178

CALCULATED PROPERTIES

• Log P: 2.8709826
• Molar Refractivity: 38.2816 cm^3
• Polarizability: 14.206054 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8709826
• LogD (pH = 7.4): 2.8709826

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.107

Product Information

• Purity: 95%