2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione

C14H12O2 — CID 139417142

IUPAC2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=CC1=C(C=C)C(=O)C(C=C)=C(C=C)C1=O
InChIInChI=1S/C14H12O2/c1-5-9-10(6-2)14(16)12(8-4)11(7-3)13(9)15/h5-8H,1-4H2
InChIKeyKBGMRHDDSFOESH-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.48
Rot. Bonds4

About 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione

2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 139417142) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID139417142
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=CC1=C(C=C)C(=O)C(C=C)=C(C=C)C1=O
InChIInChI=1S/C14H12O2/c1-5-9-10(6-2)14(16)12(8-4)11(7-3)13(9)15/h5-8H,1-4H2
InChIKeyKBGMRHDDSFOESH-UHFFFAOYSA-N
XLogP2.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione (CID 139417142) is 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione is C=CC1=C(C=C)C(=O)C(C=C)=C(C=C)C1=O.
What is the InChIKey of 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is KBGMRHDDSFOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-5-9-10(6-2)14(16)12(8-4)11(7-3)13(9)15/h5-8H,1-4H2.
What are the key properties of 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione?
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 212.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 139417142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).