1,1-dibromo-2-hexylcyclopropane

• ChemBase ID: 83401
• Molecular Formular: C9H16Br2
• Molecular Mass: 284.03134
• Monoisotopic Mass: 281.96187451
• SMILES: BrC1(CC1CCCCCC)Br
• Canonical SMILES: CCCCCCC1CC1(Br)Br
• InChI: InChI=1S/C9H16Br2/c1-2-3-4-5-6-8-7-9(8,10)11/h8H,2-7H2,1H3
• InChIKey: WPTBDWWKCWNJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-hexylcyclopropane
• IUPAC Traditional name: 1,1-dibromo-2-hexylcyclopropane
• Synonyms: 1-(2,2-dibromocyclopropyl)hexane

Database IDs

• MDL Number: MFCD00100723
• PubChem SID: 162070519
• PubChem CID: 556989

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.101903
• LogD (pH = 7.4): 4.101903
• Log P: 4.101903
• Molar Refractivity: 57.2904 cm^3
• Polarizability: 22.140617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true