1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

C10H6Cl8 — CID 21732

IUPAC1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
SMILESClC1=C(Cl)C2(Cl)C3CC(Cl)(Cl)CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2
InChIKeyJBZJEPYXXVKOKF-UHFFFAOYSA-N
MW409.78 g/mol
LogP6.03
Rot. Bonds

About 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 21732) has the molecular formula C10H6Cl8 and a molecular weight of 409.78 g/mol. Its IUPAC name is 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
PubChem CID21732
Molecular FormulaC10H6Cl8
Molecular Weight409.78 g/mol
Exact Mass405.80
IUPAC Name1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
SMILESClC1=C(Cl)C2(Cl)C3CC(Cl)(Cl)CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2
InChIKeyJBZJEPYXXVKOKF-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.78
LogP ≤ 56.03
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 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene (CID 21732) is 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene is ClC1=C(Cl)C2(Cl)C3CC(Cl)(Cl)CC3C1(Cl)C2(Cl)Cl.
What is the InChIKey of 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is JBZJEPYXXVKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2.
What are the key properties of 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene?
1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 409.78 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 21732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).