(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

C8H6Cl4 — CID 23270985

IUPAC(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C[C@]2(Cl)C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]12
InChIInChI=1S/C8H6Cl4/c9-5-2-7(11)3-1-4(3)8(5,12)6(7)10/h2-4,6H,1H2/t3-,4+,6?,7+,8+/m0/s1
InChIKeyJMEYKTHXNFXORD-RYVVURPDSA-N
MW243.95 g/mol
LogP3.34
Rot. Bonds

About (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 23270985) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
PubChem CID23270985
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C[C@]2(Cl)C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]12
InChIInChI=1S/C8H6Cl4/c9-5-2-7(11)3-1-4(3)8(5,12)6(7)10/h2-4,6H,1H2/t3-,4+,6?,7+,8+/m0/s1
InChIKeyJMEYKTHXNFXORD-RYVVURPDSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.95
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene 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 (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (CID 23270985) is (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is ClC1=C[C@]2(Cl)C(Cl)[C@@]1(Cl)[C@@H]1C[C@@H]12.
What is the InChIKey of (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is JMEYKTHXNFXORD-RYVVURPDSA-N. The full InChI is InChI=1S/C8H6Cl4/c9-5-2-7(11)3-1-4(3)8(5,12)6(7)10/h2-4,6H,1H2/t3-,4+,6?,7+,8+/m0/s1.
What are the key properties of (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 243.95 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 23270985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).