4-oxopentanoic acid;zinc

C5H8O3Zn — CID 87190982

IUPAC4-oxopentanoic acid;zinc
SMILESCC(=O)CCC(=O)O.[Zn]
InChIInChI=1S/C5H8O3.Zn/c1-4(6)2-3-5(7)8;/h2-3H2,1H3,(H,7,8);
InChIKeyUXWLCZAXUIDZTM-UHFFFAOYSA-N
MW181.51 g/mol
LogP0.44
Rot. Bonds3

About 4-oxopentanoic acid;zinc

4-oxopentanoic acid;zinc (PubChem CID 87190982) has the molecular formula C5H8O3Zn and a molecular weight of 181.51 g/mol. Its IUPAC name is 4-oxopentanoic acid;zinc.

Molecular Properties

Compound Name4-oxopentanoic acid;zinc
PubChem CID87190982
Molecular FormulaC5H8O3Zn
Molecular Weight181.51 g/mol
Exact Mass179.98
IUPAC Name4-oxopentanoic acid;zinc
SMILESCC(=O)CCC(=O)O.[Zn]
InChIInChI=1S/C5H8O3.Zn/c1-4(6)2-3-5(7)8;/h2-3H2,1H3,(H,7,8);
InChIKeyUXWLCZAXUIDZTM-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.51
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;hydride;bis(4-oxopentanoic acid)
CID 174942614
butanoic acid;4-oxopentanoic acid
CID 87275354
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
2-aminoguanidine;4-oxopentanoic acid;hydrochloride
CID 174454338
hexane-2,5-dione
CID 8035
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
ethane-1,2-diol;4-oxopentanoic acid;bis(2-sulfanylacetic acid)
CID 174753066
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butan-1-ol;4-oxopentanoic acid
CID 175236789
acetamide;butanedioic acid
CID 175267619
4,9-dioxodecanoic acid
CID 87255764

Frequently Asked Questions

What is the IUPAC name of 4-oxopentanoic acid;zinc?
The IUPAC name of 4-oxopentanoic acid;zinc (CID 87190982) is 4-oxopentanoic acid;zinc.
What is the SMILES notation for 4-oxopentanoic acid;zinc?
The canonical SMILES for 4-oxopentanoic acid;zinc is CC(=O)CCC(=O)O.[Zn].
What is the InChIKey of 4-oxopentanoic acid;zinc?
The InChIKey is UXWLCZAXUIDZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.Zn/c1-4(6)2-3-5(7)8;/h2-3H2,1H3,(H,7,8);.
What are the key properties of 4-oxopentanoic acid;zinc?
4-oxopentanoic acid;zinc has a molecular weight of 181.51 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentanoic acid;zinc is sourced from PubChem (CID 87190982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).