3,3,10,10-tetrachlorotricyclo[7.1.0.0^{2,4}]decane

• ChemBase ID: 83439
• Molecular Formular: C10H12Cl4
• Molecular Mass: 274.01428
• Monoisotopic Mass: 271.9693111
• SMILES: ClC1(C2C1CCCCC1C2C1(Cl)Cl)Cl
• Canonical SMILES: ClC1(Cl)C2C1C1C(C1(Cl)Cl)CCCC2
• InChI: InChI=1S/C10H12Cl4/c11-9(12)5-3-1-2-4-6-8(7(5)9)10(6,13)14/h5-8H,1-4H2
• InChIKey: BBPBENGIKVHXME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,10,10-tetrachlorotricyclo[7.1.0.0^{2,4}]decane
• IUPAC Traditional name: 3,3,10,10-tetrachlorotricyclo[7.1.0.0^{2,4}]decane
• Synonyms: 3,3,10,10-tetrachlorotricyclo[7.1.0.0~2,4~]decane

Database IDs

• MDL Number: MFCD00101199
• PubChem SID: 162070557
• PubChem CID: 2780302

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: 24.438606 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true