copper;zinc;bis(butanedioate)

C8H8CuO8Zn — CID 159835693

IUPACcopper;zinc;bis(butanedioate)
SMILESO=C([O-])CCC(=O)[O-].O=C([O-])CCC(=O)[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C4H6O4.Cu.Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H2,(H,5,6)(H,7,8);;/q;;2*+2/p-4
InChIKeyNOASQUTXLMUEOD-UHFFFAOYSA-J
MW361.08 g/mol
LogP-5.47
Rot. Bonds6

About copper;zinc;bis(butanedioate)

copper;zinc;bis(butanedioate) (PubChem CID 159835693) has the molecular formula C8H8CuO8Zn and a molecular weight of 361.08 g/mol. Its IUPAC name is copper;zinc;bis(butanedioate).

Molecular Properties

Compound Namecopper;zinc;bis(butanedioate)
PubChem CID159835693
Molecular FormulaC8H8CuO8Zn
Molecular Weight361.08 g/mol
Exact Mass358.88
IUPAC Namecopper;zinc;bis(butanedioate)
SMILESO=C([O-])CCC(=O)[O-].O=C([O-])CCC(=O)[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C4H6O4.Cu.Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H2,(H,5,6)(H,7,8);;/q;;2*+2/p-4
InChIKeyNOASQUTXLMUEOD-UHFFFAOYSA-J
XLogP-5.47
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 5-5.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(butanedioate);osmium(4+)
CID 159559487
azanium;lithium;butanedioate
CID 18352245
copper;zinc;bis(decanedioate)
CID 24880289
zinc 2-oxopentanedioate
CID 10236089
4-oxoheptanedioate
CID 6995280
disodium;butanedioate;methanol
CID 160588999
butanedioate;propanedioate
CID 18423363
copper bis(4-oxopentanoate)
CID 86599724
disodium;butanedioate;ethanol
CID 86659235
calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
strontium 2-oxopentanedioate
CID 11276308
disodium;acetic acid;butanedioate
CID 173373024

Frequently Asked Questions

What is the IUPAC name of copper;zinc;bis(butanedioate)?
The IUPAC name of copper;zinc;bis(butanedioate) (CID 159835693) is copper;zinc;bis(butanedioate).
What is the SMILES notation for copper;zinc;bis(butanedioate)?
The canonical SMILES for copper;zinc;bis(butanedioate) is O=C([O-])CCC(=O)[O-].O=C([O-])CCC(=O)[O-].[Cu+2].[Zn+2].
What is the InChIKey of copper;zinc;bis(butanedioate)?
The InChIKey is NOASQUTXLMUEOD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H6O4.Cu.Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H2,(H,5,6)(H,7,8);;/q;;2*+2/p-4.
What are the key properties of copper;zinc;bis(butanedioate)?
copper;zinc;bis(butanedioate) has a molecular weight of 361.08 g/mol, XLogP of -5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;zinc;bis(butanedioate) is sourced from PubChem (CID 159835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).