(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

C8H6Cl4 — CID 23270986

IUPAC(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C(Cl)[C@]2(Cl)C(Cl)[C@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C8H6Cl4/c9-5-4-2-1-3(2)8(12,6(4)10)7(5)11/h2-4,6H,1H2/t2-,3+,4+,6?,8-/m1/s1
InChIKeyJZIUQSAIOXNWAA-VLBLSOTPSA-N
MW243.95 g/mol
LogP3.54
Rot. Bonds

About (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 23270986) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
PubChem CID23270986
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C(Cl)[C@]2(Cl)C(Cl)[C@H]1[C@@H]1C[C@@H]12
InChIInChI=1S/C8H6Cl4/c9-5-4-2-1-3(2)8(12,6(4)10)7(5)11/h2-4,6H,1H2/t2-,3+,4+,6?,8-/m1/s1
InChIKeyJZIUQSAIOXNWAA-VLBLSOTPSA-N
XLogP3.54
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 ≤ 53.54
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 (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (CID 23270986) is (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is ClC1=C(Cl)[C@]2(Cl)C(Cl)[C@H]1[C@@H]1C[C@@H]12.
What is the InChIKey of (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is JZIUQSAIOXNWAA-VLBLSOTPSA-N. The full InChI is InChI=1S/C8H6Cl4/c9-5-4-2-1-3(2)8(12,6(4)10)7(5)11/h2-4,6H,1H2/t2-,3+,4+,6?,8-/m1/s1.
What are the key properties of (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 243.95 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 23270986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).