4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane

C8H8Cl4 — CID 12536814

IUPAC4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
SMILESClC1(Cl)C2CC3C(CC21)C3(Cl)Cl
InChIInChI=1S/C8H8Cl4/c9-7(10)3-1-4-6(2-5(3)7)8(4,11)12/h3-6H,1-2H2
InChIKeyXITQFTQFRMDRMD-UHFFFAOYSA-N
MW245.96 g/mol
LogP3.62
Rot. Bonds

About 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane

4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane (PubChem CID 12536814) has the molecular formula C8H8Cl4 and a molecular weight of 245.96 g/mol. Its IUPAC name is 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
PubChem CID12536814
Molecular FormulaC8H8Cl4
Molecular Weight245.96 g/mol
Exact Mass243.94
IUPAC Name4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
SMILESClC1(Cl)C2CC3C(CC21)C3(Cl)Cl
InChIInChI=1S/C8H8Cl4/c9-7(10)3-1-4-6(2-5(3)7)8(4,11)12/h3-6H,1-2H2
InChIKeyXITQFTQFRMDRMD-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.96
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane?
The IUPAC name of 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane (CID 12536814) is 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane.
What is the SMILES notation for 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane?
The canonical SMILES for 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane is ClC1(Cl)C2CC3C(CC21)C3(Cl)Cl.
What is the InChIKey of 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane?
The InChIKey is XITQFTQFRMDRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4/c9-7(10)3-1-4-6(2-5(3)7)8(4,11)12/h3-6H,1-2H2.
What are the key properties of 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane?
4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane has a molecular weight of 245.96 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 12536814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).