1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene

C8H8Cl4 — CID 162640048

IUPAC1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(Cl)=C(Cl)C(Cl)=CC1(C)Cl
InChIInChI=1S/C8H8Cl4/c1-4-6(10)7(11)5(9)3-8(4,2)12/h3-4H,1-2H3
InChIKeyRGGMYOUHHRGNOZ-UHFFFAOYSA-N
MW245.96 g/mol
LogP4.45
Rot. Bonds

About 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene

1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 162640048) has the molecular formula C8H8Cl4 and a molecular weight of 245.96 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID162640048
Molecular FormulaC8H8Cl4
Molecular Weight245.96 g/mol
Exact Mass243.94
IUPAC Name1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(Cl)=C(Cl)C(Cl)=CC1(C)Cl
InChIInChI=1S/C8H8Cl4/c1-4-6(10)7(11)5(9)3-8(4,2)12/h3-4H,1-2H3
InChIKeyRGGMYOUHHRGNOZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.96
LogP ≤ 54.45
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 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene (CID 162640048) is 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene is CC1C(Cl)=C(Cl)C(Cl)=CC1(C)Cl.
What is the InChIKey of 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is RGGMYOUHHRGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4/c1-4-6(10)7(11)5(9)3-8(4,2)12/h3-4H,1-2H3.
What are the key properties of 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene?
1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 245.96 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrachloro-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 162640048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).