3-hydroxy-4-propylfuran-2,5-dione

C7H8O4 — CID 76764573

IUPAC3-hydroxy-4-propylfuran-2,5-dione
SMILESCCCC1=C(O)C(=O)OC1=O
InChIInChI=1S/C7H8O4/c1-2-3-4-5(8)7(10)11-6(4)9/h8H,2-3H2,1H3
InChIKeyQAMDTMGONYMDOO-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.68
Rot. Bonds2

About 3-hydroxy-4-propylfuran-2,5-dione

3-hydroxy-4-propylfuran-2,5-dione (PubChem CID 76764573) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-hydroxy-4-propylfuran-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-propylfuran-2,5-dione
PubChem CID76764573
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name3-hydroxy-4-propylfuran-2,5-dione
SMILESCCCC1=C(O)C(=O)OC1=O
InChIInChI=1S/C7H8O4/c1-2-3-4-5(8)7(10)11-6(4)9/h8H,2-3H2,1H3
InChIKeyQAMDTMGONYMDOO-UHFFFAOYSA-N
XLogP0.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-4-propylfuran-2,5-dione?
The IUPAC name of 3-hydroxy-4-propylfuran-2,5-dione (CID 76764573) is 3-hydroxy-4-propylfuran-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-propylfuran-2,5-dione?
The canonical SMILES for 3-hydroxy-4-propylfuran-2,5-dione is CCCC1=C(O)C(=O)OC1=O.
What is the InChIKey of 3-hydroxy-4-propylfuran-2,5-dione?
The InChIKey is QAMDTMGONYMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-3-4-5(8)7(10)11-6(4)9/h8H,2-3H2,1H3.
What are the key properties of 3-hydroxy-4-propylfuran-2,5-dione?
3-hydroxy-4-propylfuran-2,5-dione has a molecular weight of 156.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propylfuran-2,5-dione is sourced from PubChem (CID 76764573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).