zinc 2-oxopentanedioate

C5H4O5Zn — CID 10236089

IUPACzinc 2-oxopentanedioate
SMILESO=C([O-])CCC(=O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C5H6O5.Zn/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyGYBLQYIEAGSJPW-UHFFFAOYSA-L
MW209.47 g/mol
LogP-3.17
Rot. Bonds4

About zinc 2-oxopentanedioate

zinc 2-oxopentanedioate (PubChem CID 10236089) has the molecular formula C5H4O5Zn and a molecular weight of 209.47 g/mol. Its IUPAC name is zinc 2-oxopentanedioate.

Molecular Properties

Compound Namezinc 2-oxopentanedioate
PubChem CID10236089
Molecular FormulaC5H4O5Zn
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Namezinc 2-oxopentanedioate
SMILESO=C([O-])CCC(=O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C5H6O5.Zn/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyGYBLQYIEAGSJPW-UHFFFAOYSA-L
XLogP-3.17
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 5-3.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

strontium 2-oxopentanedioate
CID 11276308
copper;zinc;bis(butanedioate)
CID 159835693
bis(butanedioate);osmium(4+)
CID 159559487
azanium;lithium;butanedioate
CID 18352245
2-azaniumylpentanedioate;2-oxopentanedioate
CID 158602058
butanedioate;propanedioate
CID 18423363
4-oxoheptanedioate
CID 6995280
disodium;butanedioate;methanol
CID 160588999
dipotassium;butanedioate;butanedioic acid;hydrate
CID 174286675
dipotassium;4-oxo-4-sulfidobutanoate
CID 87135702
dipotassium;octadecanedioate
CID 141466899
zinc bis(3-aminopropanoate)
CID 87686720

Frequently Asked Questions

What is the IUPAC name of zinc 2-oxopentanedioate?
The IUPAC name of zinc 2-oxopentanedioate (CID 10236089) is zinc 2-oxopentanedioate.
What is the SMILES notation for zinc 2-oxopentanedioate?
The canonical SMILES for zinc 2-oxopentanedioate is O=C([O-])CCC(=O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc 2-oxopentanedioate?
The InChIKey is GYBLQYIEAGSJPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H6O5.Zn/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of zinc 2-oxopentanedioate?
zinc 2-oxopentanedioate has a molecular weight of 209.47 g/mol, XLogP of -3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-oxopentanedioate is sourced from PubChem (CID 10236089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).