3,4-dimethoxyfuran-2,5-dione

C6H6O5 — CID 14297826

IUPAC3,4-dimethoxyfuran-2,5-dione
SMILESCOC1=C(OC)C(=O)OC1=O
InChIInChI=1S/C6H6O5/c1-9-3-4(10-2)6(8)11-5(3)7/h1-2H3
InChIKeyCHXGOEFIZIBTTF-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.43
Rot. Bonds2

About 3,4-dimethoxyfuran-2,5-dione

3,4-dimethoxyfuran-2,5-dione (PubChem CID 14297826) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 3,4-dimethoxyfuran-2,5-dione.

Molecular Properties

Compound Name3,4-dimethoxyfuran-2,5-dione
PubChem CID14297826
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name3,4-dimethoxyfuran-2,5-dione
SMILESCOC1=C(OC)C(=O)OC1=O
InChIInChI=1S/C6H6O5/c1-9-3-4(10-2)6(8)11-5(3)7/h1-2H3
InChIKeyCHXGOEFIZIBTTF-UHFFFAOYSA-N
XLogP-0.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxyfuran-2,5-dione?
The IUPAC name of 3,4-dimethoxyfuran-2,5-dione (CID 14297826) is 3,4-dimethoxyfuran-2,5-dione.
What is the SMILES notation for 3,4-dimethoxyfuran-2,5-dione?
The canonical SMILES for 3,4-dimethoxyfuran-2,5-dione is COC1=C(OC)C(=O)OC1=O.
What is the InChIKey of 3,4-dimethoxyfuran-2,5-dione?
The InChIKey is CHXGOEFIZIBTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c1-9-3-4(10-2)6(8)11-5(3)7/h1-2H3.
What are the key properties of 3,4-dimethoxyfuran-2,5-dione?
3,4-dimethoxyfuran-2,5-dione has a molecular weight of 158.11 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxyfuran-2,5-dione is sourced from PubChem (CID 14297826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).