cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride

C10H4Cl4O4 — CID 129057761

IUPACcyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride
SMILESO=C(Cl)C1=CC(C(=O)Cl)C(C(=O)Cl)C=C1C(=O)Cl
InChIInChI=1S/C10H4Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-3,5H
InChIKeyLSEIKRSAZXBAJY-UHFFFAOYSA-N
MW329.95 g/mol
LogP2.15
Rot. Bonds4

About cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride

cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride (PubChem CID 129057761) has the molecular formula C10H4Cl4O4 and a molecular weight of 329.95 g/mol. Its IUPAC name is cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride.

Molecular Properties

Compound Namecyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride
PubChem CID129057761
Molecular FormulaC10H4Cl4O4
Molecular Weight329.95 g/mol
Exact Mass327.89
IUPAC Namecyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride
SMILESO=C(Cl)C1=CC(C(=O)Cl)C(C(=O)Cl)C=C1C(=O)Cl
InChIInChI=1S/C10H4Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-3,5H
InChIKeyLSEIKRSAZXBAJY-UHFFFAOYSA-N
XLogP2.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.95
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride?
The IUPAC name of cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride (CID 129057761) is cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride.
What is the SMILES notation for cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride?
The canonical SMILES for cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride is O=C(Cl)C1=CC(C(=O)Cl)C(C(=O)Cl)C=C1C(=O)Cl.
What is the InChIKey of cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride?
The InChIKey is LSEIKRSAZXBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-3,5H.
What are the key properties of cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride?
cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride has a molecular weight of 329.95 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,6-diene-1,2,4,5-tetracarbonyl chloride is sourced from PubChem (CID 129057761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).