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

• ChemBase ID: 85291
• Molecular Formular: C10H12Br4
• Molecular Mass: 451.81828
• Monoisotopic Mass: 447.76724838
• SMILES: BrC1(C2C1CCC1C(C1CC2)(Br)Br)Br
• Canonical SMILES: BrC1(Br)C2C1CCC1C(CC2)C1(Br)Br
• InChI: InChI=1S/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
• InChIKey: CBZFVWOOXISXFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01314315
• PubChem SID: 162072407
• PubChem CID: 2795275

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0235906
• LogD (pH = 7.4): 4.0235906
• Log P: 4.0235906
• Molar Refractivity: 73.7992 cm^3
• Polarizability: 28.7617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true