(3E)-1,6-dibromohex-3-ene

• ChemBase ID: 166973
• Molecular Formular: C6H10Br2
• Molecular Mass: 241.9516
• Monoisotopic Mass: 239.91492432
• SMILES: BrCC/C=C/CCBr
• Canonical SMILES: BrCC/C=C/CCBr
• InChI: InChI=1S/C6H10Br2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+
• InChIKey: QBGNQGGJSCRVJJ-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-1,6-dibromohex-3-ene
• IUPAC Traditional name: (3E)-1,6-dibromohex-3-ene
• Synonyms: (E)-1,6-Dibromo-3-hexene; trans-1,6-Dibromohex-3-ene; (3E)-1,6-Dibromo-3-hexene

Database IDs

• CAS Number: 59533-63-0
• PubChem SID: 162261106
• PubChem CID: 13614245

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9760332
• LogD (pH = 7.4): 2.9760332
• Log P: 2.9760332
• Molar Refractivity: 46.4512 cm^3
• Polarizability: 17.191412 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Clear Light Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer