oxolane-2,5-dione;zinc

C4H4O3Zn — CID 159620051

IUPACoxolane-2,5-dione;zinc
SMILESO=C1CCC(=O)O1.[Zn]
InChIInChI=1S/C4H4O3.Zn/c5-3-1-2-4(6)7-3;/h1-2H2;
InChIKeyMNTZIWJONZIMFJ-UHFFFAOYSA-N
MW165.46 g/mol
LogP-0.15
Rot. Bonds

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 Nameoxolane-2,5-dione;zinc
PubChem CID159620051
Molecular FormulaC4H4O3Zn
Molecular Weight165.46 g/mol
Exact Mass163.95
IUPAC Nameoxolane-2,5-dione;zinc
SMILESO=C1CCC(=O)O1.[Zn]
InChIInChI=1S/C4H4O3.Zn/c5-3-1-2-4(6)7-3;/h1-2H2;
InChIKeyMNTZIWJONZIMFJ-UHFFFAOYSA-N
XLogP-0.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.46
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).