copper;oxalate;oxocopper

C2Cu2O5 — CID 157143920

IUPACcopper;oxalate;oxocopper
SMILESO=C([O-])C(=O)[O-].O=[Cu].[Cu+2]
InChIInChI=1S/C2H2O4.2Cu.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;;+2;/p-2
InChIKeyIJROAUFGQSJMNI-UHFFFAOYSA-L
MW231.11 g/mol
LogP-3.64
Rot. Bonds

About copper;oxalate;oxocopper

copper;oxalate;oxocopper (PubChem CID 157143920) has the molecular formula C2Cu2O5 and a molecular weight of 231.11 g/mol. Its IUPAC name is copper;oxalate;oxocopper.

Molecular Properties

Compound Namecopper;oxalate;oxocopper
PubChem CID157143920
Molecular FormulaC2Cu2O5
Molecular Weight231.11 g/mol
Exact Mass229.83
IUPAC Namecopper;oxalate;oxocopper
SMILESO=C([O-])C(=O)[O-].O=[Cu].[Cu+2]
InChIInChI=1S/C2H2O4.2Cu.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;;+2;/p-2
InChIKeyIJROAUFGQSJMNI-UHFFFAOYSA-L
XLogP-3.64
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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cesium oxalate
CID 53436195
oxalate;silicon(4+)
CID 19840044
diazanium;oxalate
CID 14213
oxalate;bis(ruthenium(3+))
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dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935
tetraazanium oxalate
CID 22167731

Frequently Asked Questions

What is the IUPAC name of copper;oxalate;oxocopper?
The IUPAC name of copper;oxalate;oxocopper (CID 157143920) is copper;oxalate;oxocopper.
What is the SMILES notation for copper;oxalate;oxocopper?
The canonical SMILES for copper;oxalate;oxocopper is O=C([O-])C(=O)[O-].O=[Cu].[Cu+2].
What is the InChIKey of copper;oxalate;oxocopper?
The InChIKey is IJROAUFGQSJMNI-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.2Cu.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;;+2;/p-2.
What are the key properties of copper;oxalate;oxocopper?
copper;oxalate;oxocopper has a molecular weight of 231.11 g/mol, XLogP of -3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;oxalate;oxocopper is sourced from PubChem (CID 157143920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).