3-ethenoxyfuran-2,5-dione

C6H4O4 — CID 57056226

IUPAC3-ethenoxyfuran-2,5-dione
SMILESC=COC1=CC(=O)OC1=O
InChIInChI=1S/C6H4O4/c1-2-9-4-3-5(7)10-6(4)8/h2-3H,1H2
InChIKeyXGIFMHGDWWCUTR-UHFFFAOYSA-N
MW140.09 g/mol
LogP0.11
Rot. Bonds2

About 3-ethenoxyfuran-2,5-dione

3-ethenoxyfuran-2,5-dione (PubChem CID 57056226) has the molecular formula C6H4O4 and a molecular weight of 140.09 g/mol. Its IUPAC name is 3-ethenoxyfuran-2,5-dione.

Molecular Properties

Compound Name3-ethenoxyfuran-2,5-dione
PubChem CID57056226
Molecular FormulaC6H4O4
Molecular Weight140.09 g/mol
Exact Mass140.01
IUPAC Name3-ethenoxyfuran-2,5-dione
SMILESC=COC1=CC(=O)OC1=O
InChIInChI=1S/C6H4O4/c1-2-9-4-3-5(7)10-6(4)8/h2-3H,1H2
InChIKeyXGIFMHGDWWCUTR-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyfuran-2,5-dione?
The IUPAC name of 3-ethenoxyfuran-2,5-dione (CID 57056226) is 3-ethenoxyfuran-2,5-dione.
What is the SMILES notation for 3-ethenoxyfuran-2,5-dione?
The canonical SMILES for 3-ethenoxyfuran-2,5-dione is C=COC1=CC(=O)OC1=O.
What is the InChIKey of 3-ethenoxyfuran-2,5-dione?
The InChIKey is XGIFMHGDWWCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4/c1-2-9-4-3-5(7)10-6(4)8/h2-3H,1H2.
What are the key properties of 3-ethenoxyfuran-2,5-dione?
3-ethenoxyfuran-2,5-dione has a molecular weight of 140.09 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyfuran-2,5-dione is sourced from PubChem (CID 57056226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).