zinc cyclobutene-1,2-dicarboxylate

C6H4O4Zn — CID 88825628

IUPACzinc cyclobutene-1,2-dicarboxylate
SMILESO=C([O-])C1=C(C(=O)[O-])CC1.[Zn+2]
InChIInChI=1S/C6H6O4.Zn/c7-5(8)3-1-2-4(3)6(9)10;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyDPFGISYUNQXGNV-UHFFFAOYSA-L
MW205.48 g/mol
LogP-2.43
Rot. Bonds2

About zinc cyclobutene-1,2-dicarboxylate

zinc cyclobutene-1,2-dicarboxylate (PubChem CID 88825628) has the molecular formula C6H4O4Zn and a molecular weight of 205.48 g/mol. Its IUPAC name is zinc cyclobutene-1,2-dicarboxylate.

Molecular Properties

Compound Namezinc cyclobutene-1,2-dicarboxylate
PubChem CID88825628
Molecular FormulaC6H4O4Zn
Molecular Weight205.48 g/mol
Exact Mass203.94
IUPAC Namezinc cyclobutene-1,2-dicarboxylate
SMILESO=C([O-])C1=C(C(=O)[O-])CC1.[Zn+2]
InChIInChI=1S/C6H6O4.Zn/c7-5(8)3-1-2-4(3)6(9)10;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyDPFGISYUNQXGNV-UHFFFAOYSA-L
XLogP-2.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.48
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc cyclobutene-1,2-dicarboxylate?
The IUPAC name of zinc cyclobutene-1,2-dicarboxylate (CID 88825628) is zinc cyclobutene-1,2-dicarboxylate.
What is the SMILES notation for zinc cyclobutene-1,2-dicarboxylate?
The canonical SMILES for zinc cyclobutene-1,2-dicarboxylate is O=C([O-])C1=C(C(=O)[O-])CC1.[Zn+2].
What is the InChIKey of zinc cyclobutene-1,2-dicarboxylate?
The InChIKey is DPFGISYUNQXGNV-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O4.Zn/c7-5(8)3-1-2-4(3)6(9)10;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of zinc cyclobutene-1,2-dicarboxylate?
zinc cyclobutene-1,2-dicarboxylate has a molecular weight of 205.48 g/mol, XLogP of -2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc cyclobutene-1,2-dicarboxylate is sourced from PubChem (CID 88825628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).