1,1-dibromo-2-pentylcyclopropane

• ChemBase ID: 83399
• Molecular Formular: C8H14Br2
• Molecular Mass: 270.00476
• Monoisotopic Mass: 267.94622445
• SMILES: BrC1(CC1CCCCC)Br
• Canonical SMILES: CCCCCC1CC1(Br)Br
• InChI: InChI=1S/C8H14Br2/c1-2-3-4-5-7-6-8(7,9)10/h7H,2-6H2,1H3
• InChIKey: UQONUUXVHJXAIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-pentylcyclopropane
• IUPAC Traditional name: 1,1-dibromo-2-pentylcyclopropane
• Synonyms: 1-(2,2-dibromocyclopropyl)pentane

Database IDs

• MDL Number: MFCD00100722
• PubChem SID: 162070517
• PubChem CID: 572934

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6816638
• LogD (pH = 7.4): 3.6816638
• Log P: 3.6816638
• Molar Refractivity: 52.6894 cm^3
• Polarizability: 20.351778 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true