1,1-dibromo-2-octylcyclopropane

• ChemBase ID: 83402
• Molecular Formular: C11H20Br2
• Molecular Mass: 312.0845
• Monoisotopic Mass: 309.99317464
• SMILES: BrC1(CC1CCCCCCCC)Br
• Canonical SMILES: CCCCCCCCC1CC1(Br)Br
• InChI: InChI=1S/C11H20Br2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h10H,2-9H2,1H3
• InChIKey: QEMWCGYLHICAEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-octylcyclopropane
• IUPAC Traditional name: 1,1-dibromo-2-octylcyclopropane
• Synonyms: 1-(2,2-dibromocyclopropyl)octane

Database IDs

• MDL Number: MFCD00100724
• PubChem SID: 162070520
• PubChem CID: 2780238

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9423814
• LogD (pH = 7.4): 4.9423814
• Log P: 4.9423814
• Molar Refractivity: 66.4924 cm^3
• Polarizability: 25.736204 Å^3