2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione

C12H12O4 — CID 102396581

IUPAC2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione
SMILESCO/C=C\C1=CC(=O)C=C(/C=C\OC)C1=O
InChIInChI=1S/C12H12O4/c1-15-5-3-9-7-11(13)8-10(12(9)14)4-6-16-2/h3-8H,1-2H3/b5-3-,6-4-
InChIKeyWFGKCALIBBZTKI-GLIMQPGKSA-N
MW220.22 g/mol
LogP1.31
Rot. Bonds4

About 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione

2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 102396581) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID102396581
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione
SMILESCO/C=C\C1=CC(=O)C=C(/C=C\OC)C1=O
InChIInChI=1S/C12H12O4/c1-15-5-3-9-7-11(13)8-10(12(9)14)4-6-16-2/h3-8H,1-2H3/b5-3-,6-4-
InChIKeyWFGKCALIBBZTKI-GLIMQPGKSA-N
XLogP1.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione (CID 102396581) is 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione is CO/C=C\C1=CC(=O)C=C(/C=C\OC)C1=O.
What is the InChIKey of 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is WFGKCALIBBZTKI-GLIMQPGKSA-N. The full InChI is InChI=1S/C12H12O4/c1-15-5-3-9-7-11(13)8-10(12(9)14)4-6-16-2/h3-8H,1-2H3/b5-3-,6-4-.
What are the key properties of 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione?
2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 220.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(Z)-2-methoxyethenyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 102396581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).