1,1-dichloro-2-(2,2-dichloro-1-methylcyclopropyl)-2-methylcyclopropane

• ChemBase ID: 83440
• Molecular Formular: C8H10Cl4
• Molecular Mass: 247.977
• Monoisotopic Mass: 245.95366104
• SMILES: ClC1(C(C2(C(C2)(Cl)Cl)C)(C1)C)Cl
• Canonical SMILES: CC1(CC1(Cl)Cl)C1(C)CC1(Cl)Cl
• InChI: InChI=1S/C8H10Cl4/c1-5(3-7(5,9)10)6(2)4-8(6,11)12/h3-4H2,1-2H3
• InChIKey: MCBKMXZCZYBXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2-(2,2-dichloro-1-methylcyclopropyl)-2-methylcyclopropane
• IUPAC Traditional name: 1,1-dichloro-2-(2,2-dichloro-1-methylcyclopropyl)-2-methylcyclopropane
• Synonyms: 1,1'-Dimethyl-2,2',2,2'-tetra chloro biscyclopropane

Database IDs

• MDL Number: MFCD00101197
• PubChem SID: 162070558
• PubChem CID: 581573

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.96532
• LogD (pH = 7.4): 3.96532
• Log P: 3.96532
• Molar Refractivity: 54.986 cm^3
• Polarizability: 21.510513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true