1,1-dibromo-2-methyl-3-pentylcyclopropane

• ChemBase ID: 83406
• Molecular Formular: C9H16Br2
• Molecular Mass: 284.03134
• Monoisotopic Mass: 281.96187451
• SMILES: BrC1(C(C1CCCCC)C)Br
• Canonical SMILES: CCCCCC1C(C1(Br)Br)C
• InChI: InChI=1S/C9H16Br2/c1-3-4-5-6-8-7(2)9(8,10)11/h7-8H,3-6H2,1-2H3
• InChIKey: LNIYJPDSCQXEEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-methyl-3-pentylcyclopropane
• IUPAC Traditional name: 1,1-dibromo-2-methyl-3-pentylcyclopropane
• Synonyms: 1-(2,2-dibromo-3-methylcyclopropyl)pentane

Database IDs

• MDL Number: MFCD00100727
• PubChem SID: 162070524
• PubChem CID: 2780243

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1631866
• LogD (pH = 7.4): 4.1631866
• Log P: 4.1631866
• Molar Refractivity: 57.1058 cm^3
• Polarizability: 22.14089 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true