5,5,10,10-tetrachlorotricyclo[7.1.0.0^{4,6}]decane

• ChemBase ID: 84222
• Molecular Formular: C10H12Cl4
• Molecular Mass: 274.01428
• Monoisotopic Mass: 271.9693111
• SMILES: ClC1(C2C1CCC1C(C1CC2)(Cl)Cl)Cl
• Canonical SMILES: ClC1(Cl)C2C1CCC1C(CC2)C1(Cl)Cl
• InChI: InChI=1S/C10H12Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
• InChIKey: NKVPORTUSHMWBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,10,10-tetrachlorotricyclo[7.1.0.0^{4,6}]decane
• IUPAC Traditional name: 5,5,10,10-tetrachlorotricyclo[7.1.0.0^{4,6}]decane
• Synonyms: 5,5,10,10-tetrachlorotricyclo[7.1.0.0~4,6~]decane

Database IDs

• MDL Number: MFCD00124858
• PubChem SID: 162071338
• PubChem CID: 290887

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3646755
• LogD (pH = 7.4): 4.3646755
• Log P: 4.3646755
• Molar Refractivity: 62.5328 cm^3
• Polarizability: 24.438593 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true