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

C8H8Cl4O2 — CID 23617318

IUPAC1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=C(Cl)C(Cl)C(Cl)(OC)C=C1Cl
InChIInChI=1S/C8H8Cl4O2/c1-13-6-4(9)3-8(12,14-2)7(11)5(6)10/h3,7H,1-2H3
InChIKeyVOPGYWNBSBKGGO-UHFFFAOYSA-N
MW277.96 g/mol
LogP3.41
Rot. Bonds2

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

1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene (PubChem CID 23617318) has the molecular formula C8H8Cl4O2 and a molecular weight of 277.96 g/mol. Its IUPAC name is 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene
PubChem CID23617318
Molecular FormulaC8H8Cl4O2
Molecular Weight277.96 g/mol
Exact Mass275.93
IUPAC Name1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=C(Cl)C(Cl)C(Cl)(OC)C=C1Cl
InChIInChI=1S/C8H8Cl4O2/c1-13-6-4(9)3-8(12,14-2)7(11)5(6)10/h3,7H,1-2H3
InChIKeyVOPGYWNBSBKGGO-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.96
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene (CID 23617318) is 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene is COC1=C(Cl)C(Cl)C(Cl)(OC)C=C1Cl.
What is the InChIKey of 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is VOPGYWNBSBKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4O2/c1-13-6-4(9)3-8(12,14-2)7(11)5(6)10/h3,7H,1-2H3.
What are the key properties of 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene?
1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 277.96 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetrachloro-2,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 23617318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).