2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

C10H6Cl6 — CID 521740

IUPAC2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene
SMILESClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3CC1C(Cl)C32
InChIInChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2
InChIKeyOSFPUJNCRLXHDW-UHFFFAOYSA-N
MW338.88 g/mol
LogP5.23
Rot. Bonds

About 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene (PubChem CID 521740) has the molecular formula C10H6Cl6 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene.

Molecular Properties

Compound Name2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene
PubChem CID521740
Molecular FormulaC10H6Cl6
Molecular Weight338.88 g/mol
Exact Mass335.86
IUPAC Name2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene
SMILESClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3CC1C(Cl)C32
InChIInChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2
InChIKeyOSFPUJNCRLXHDW-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene?
The IUPAC name of 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene (CID 521740) is 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene.
What is the SMILES notation for 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene?
The canonical SMILES for 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene is ClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3CC1C(Cl)C32.
What is the InChIKey of 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene?
The InChIKey is OSFPUJNCRLXHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2.
What are the key properties of 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene?
2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene has a molecular weight of 338.88 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene is sourced from PubChem (CID 521740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).