1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene

C11H10Cl4 — CID 71396624

IUPAC1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene
SMILESClC1=C(Cl)C(C2=CCCCC2)C(Cl)=C1Cl
InChIInChI=1S/C11H10Cl4/c12-8-7(6-4-2-1-3-5-6)9(13)11(15)10(8)14/h4,7H,1-3,5H2
InChIKeyMPXXEIMGYOGPPG-UHFFFAOYSA-N
MW284.01 g/mol
LogP5.49
Rot. Bonds1

About 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene

1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene (PubChem CID 71396624) has the molecular formula C11H10Cl4 and a molecular weight of 284.01 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene.

Molecular Properties

Compound Name1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene
PubChem CID71396624
Molecular FormulaC11H10Cl4
Molecular Weight284.01 g/mol
Exact Mass281.95
IUPAC Name1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene
SMILESClC1=C(Cl)C(C2=CCCCC2)C(Cl)=C1Cl
InChIInChI=1S/C11H10Cl4/c12-8-7(6-4-2-1-3-5-6)9(13)11(15)10(8)14/h4,7H,1-3,5H2
InChIKeyMPXXEIMGYOGPPG-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.01
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene?
The IUPAC name of 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene (CID 71396624) is 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene.
What is the SMILES notation for 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene?
The canonical SMILES for 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene is ClC1=C(Cl)C(C2=CCCCC2)C(Cl)=C1Cl.
What is the InChIKey of 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene?
The InChIKey is MPXXEIMGYOGPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4/c12-8-7(6-4-2-1-3-5-6)9(13)11(15)10(8)14/h4,7H,1-3,5H2.
What are the key properties of 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene?
1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene has a molecular weight of 284.01 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-yl)cyclohexene is sourced from PubChem (CID 71396624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).