copper;zinc;bis(decanedioate)

C20H32CuO8Zn — CID 24880289

IUPACcopper;zinc;bis(decanedioate)
SMILESO=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C10H18O4.Cu.Zn/c2*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h2*1-8H2,(H,11,12)(H,13,14);;/q;;2*+2/p-4
InChIKeyRZDBMIKIHLFVHX-UHFFFAOYSA-J
MW529.40 g/mol
LogP-0.79
Rot. Bonds18

About copper;zinc;bis(decanedioate)

copper;zinc;bis(decanedioate) (PubChem CID 24880289) has the molecular formula C20H32CuO8Zn and a molecular weight of 529.40 g/mol. Its IUPAC name is copper;zinc;bis(decanedioate).

Molecular Properties

Compound Namecopper;zinc;bis(decanedioate)
PubChem CID24880289
Molecular FormulaC20H32CuO8Zn
Molecular Weight529.40 g/mol
Exact Mass527.07
IUPAC Namecopper;zinc;bis(decanedioate)
SMILESO=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C10H18O4.Cu.Zn/c2*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h2*1-8H2,(H,11,12)(H,13,14);;/q;;2*+2/p-4
InChIKeyRZDBMIKIHLFVHX-UHFFFAOYSA-J
XLogP-0.79
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
cadmium(2+);hexanedioate
CID 19376883

Frequently Asked Questions

What is the IUPAC name of copper;zinc;bis(decanedioate)?
The IUPAC name of copper;zinc;bis(decanedioate) (CID 24880289) is copper;zinc;bis(decanedioate).
What is the SMILES notation for copper;zinc;bis(decanedioate)?
The canonical SMILES for copper;zinc;bis(decanedioate) is O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].[Cu+2].[Zn+2].
What is the InChIKey of copper;zinc;bis(decanedioate)?
The InChIKey is RZDBMIKIHLFVHX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H18O4.Cu.Zn/c2*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h2*1-8H2,(H,11,12)(H,13,14);;/q;;2*+2/p-4.
What are the key properties of copper;zinc;bis(decanedioate)?
copper;zinc;bis(decanedioate) has a molecular weight of 529.40 g/mol, XLogP of -0.79, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;zinc;bis(decanedioate) is sourced from PubChem (CID 24880289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).