1,1-dibromo-2-butyl-3-methylcyclopropane

• ChemBase ID: 83403
• Molecular Formular: C8H14Br2
• Molecular Mass: 270.00476
• Monoisotopic Mass: 267.94622445
• SMILES: BrC1(C(C1CCCC)C)Br
• Canonical SMILES: CCCCC1C(C1(Br)Br)C
• InChI: InChI=1S/C8H14Br2/c1-3-4-5-7-6(2)8(7,9)10/h6-7H,3-5H2,1-2H3
• InChIKey: VVXFDFGQTPWSOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-butyl-3-methylcyclopropane
• IUPAC Traditional name: 1,1-dibromo-2-butyl-3-methylcyclopropane
• Synonyms: 1-(2,2-dibromo-3-methylcyclopropyl)butane

Database IDs

• MDL Number: MFCD00100725
• PubChem SID: 162070521
• PubChem CID: 572977

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7429473
• LogD (pH = 7.4): 3.7429473
• Log P: 3.7429473
• Molar Refractivity: 52.5048 cm^3
• Polarizability: 20.352047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true