Oxolane-2,5-dione;ZINC

C₄H₄O₃Zn — CID 159620051

About Oxolane-2,5-dione;ZINC

Oxolane-2,5-dione;ZINC (PubChem CID 159620051) has the molecular formula C₄H₄O₃Zn and a molecular weight of 165.46 g/mol. Its IUPAC name is oxolane-2,5-dione;zinc.

Molecular Properties

• Compound Name: Oxolane-2,5-dione;ZINC
• PubChem CID: 159620051
• Molecular Formula: C₄H₄O₃Zn
• Molecular Weight: 165.46 g/mol
• Exact Mass: 163.95
• IUPAC Name: oxolane-2,5-dione;zinc
• SMILES: O=C1CCC(=O)O1.[Zn]
• InChI: InChI=1S/C4H4O3.Zn/c5-3-1-2-4(6)7-3;/h1-2H2
• InChIKey: MNTZIWJONZIMFJ-UHFFFAOYSA-N
• XLogP: -0.15
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.46
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Oxolane-2,5-dione;ZINC?

The IUPAC name of Oxolane-2,5-dione;ZINC (CID 159620051) is oxolane-2,5-dione;zinc.

What is the SMILES notation for Oxolane-2,5-dione;ZINC?

The canonical SMILES for Oxolane-2,5-dione;ZINC is O=C1CCC(=O)O1.[Zn].

What is the InChIKey of Oxolane-2,5-dione;ZINC?

The InChIKey is MNTZIWJONZIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3.Zn/c5-3-1-2-4(6)7-3;/h1-2H2;.

What are the key properties of Oxolane-2,5-dione;ZINC?

Oxolane-2,5-dione;ZINC has a molecular weight of 165.46 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxolane-2,5-dione;ZINC is sourced from PubChem (CID 159620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159620051 — identifiers, structure, computed properties (public domain)

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