tetrapotassium;octakis(cadmium(2+));oxalate

C20Cd8K4O40 — CID 173357268

IUPACtetrapotassium;octakis(cadmium(2+));oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[K+].[K+].[K+].[K+]
InChIInChI=1S/10C2H2O4.8Cd.4K/c10*3-1(4)2(5)6;;;;;;;;;;;;/h10*(H,3,4)(H,5,6);;;;;;;;;;;;/q;;;;;;;;;;8*+2;4*+1/p-20
InChIKeyNSNWTMBVADEUEL-UHFFFAOYSA-A
MW1935.87 g/mol
LogP-47.14
Rot. Bonds

About tetrapotassium;octakis(cadmium(2+));oxalate

tetrapotassium;octakis(cadmium(2+));oxalate (PubChem CID 173357268) has the molecular formula C20Cd8K4O40 and a molecular weight of 1935.87 g/mol. Its IUPAC name is tetrapotassium;octakis(cadmium(2+));oxalate.

Molecular Properties

Compound Nametetrapotassium;octakis(cadmium(2+));oxalate
PubChem CID173357268
Molecular FormulaC20Cd8K4O40
Molecular Weight1935.87 g/mol
Exact Mass1946.88
IUPAC Nametetrapotassium;octakis(cadmium(2+));oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[K+].[K+].[K+].[K+]
InChIInChI=1S/10C2H2O4.8Cd.4K/c10*3-1(4)2(5)6;;;;;;;;;;;;/h10*(H,3,4)(H,5,6);;;;;;;;;;;;/q;;;;;;;;;;8*+2;4*+1/p-20
InChIKeyNSNWTMBVADEUEL-UHFFFAOYSA-A
XLogP-47.14
TPSA802.60 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001935.87
LogP ≤ 5-47.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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Related Compounds

oxalate;platinum(2+)
CID 22066175
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
cesium oxalate
CID 53436195
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044
oxalate;bis(ruthenium(3+))
CID 57371303
dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935
tetraazanium oxalate
CID 22167731
iron(3+);oxalate
CID 165359506
oxalate;yttrium(3+)
CID 21124343

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;octakis(cadmium(2+));oxalate?
The IUPAC name of tetrapotassium;octakis(cadmium(2+));oxalate (CID 173357268) is tetrapotassium;octakis(cadmium(2+));oxalate.
What is the SMILES notation for tetrapotassium;octakis(cadmium(2+));oxalate?
The canonical SMILES for tetrapotassium;octakis(cadmium(2+));oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;octakis(cadmium(2+));oxalate?
The InChIKey is NSNWTMBVADEUEL-UHFFFAOYSA-A. The full InChI is InChI=1S/10C2H2O4.8Cd.4K/c10*3-1(4)2(5)6;;;;;;;;;;;;/h10*(H,3,4)(H,5,6);;;;;;;;;;;;/q;;;;;;;;;;8*+2;4*+1/p-20.
What are the key properties of tetrapotassium;octakis(cadmium(2+));oxalate?
tetrapotassium;octakis(cadmium(2+));oxalate has a molecular weight of 1935.87 g/mol, XLogP of -47.14, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;octakis(cadmium(2+));oxalate is sourced from PubChem (CID 173357268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).