1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane

• ChemBase ID: 79637
• Molecular Formular: C6H9Cl3
• Molecular Mass: 187.49466
• Monoisotopic Mass: 185.97698333
• SMILES: ClC1(C(C1(C)C)CCl)Cl
• Canonical SMILES: ClCC1C(C1(C)C)(Cl)Cl
• InChI: InChI=1S/C6H9Cl3/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3
• InChIKey: VANFHKYWQQMTOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
• IUPAC Traditional name: 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
• Synonyms: 1,1-dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane

Database IDs

• MDL Number: MFCD00114701
• PubChem SID: 162044400
• PubChem CID: 2775273

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3174076
• LogD (pH = 7.4): 3.3174076
• Log P: 3.3174076
• Molar Refractivity: 42.0304 cm^3
• Polarizability: 16.649921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true