2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione

C10H12O4 — CID 566298

IUPAC2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(C)C(=O)C(OC)=C(C)C1=O
InChIInChI=1S/C10H12O4/c1-5-7(11)10(14-4)6(2)8(12)9(5)13-3/h1-4H3
InChIKeyAJAVKSFVAFPKQM-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.98
Rot. Bonds2

About 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione

2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione (PubChem CID 566298) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
PubChem CID566298
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(C)C(=O)C(OC)=C(C)C1=O
InChIInChI=1S/C10H12O4/c1-5-7(11)10(14-4)6(2)8(12)9(5)13-3/h1-4H3
InChIKeyAJAVKSFVAFPKQM-UHFFFAOYSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

Coenzyme Q1
CID 4462
2,3-Dimethoxy-5-methyl-1,4-benzoquinone
CID 69068
2-Methoxy-5-methyl-1,4-benzoquinone
CID 11958
2-Methoxy-6-Methyl-1,4-Benzoquinone
CID 101355
Aurantiogliocladin
CID 12299893
2-Hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 14381939
2,3,5-Trimethoxy-6-(1-Propenyl)-2,5-Cyclohexadiene-1,4-Dione
CID 10868332
Spinulosin
CID 66556
2-Methoxy-3-methyl-1,4-benzoquinone
CID 10931620
Fumigatin
CID 119035
2-Hydroxy-3-methoxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 136349965
Methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
CID 136462571

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione (CID 566298) is 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione is COC1=C(C)C(=O)C(OC)=C(C)C1=O.
What is the InChIKey of 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is AJAVKSFVAFPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-7(11)10(14-4)6(2)8(12)9(5)13-3/h1-4H3.
What are the key properties of 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione?
2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 196.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).