3-hydroxypentane-2,4-dione;zinc

C5H8O3Zn — CID 171785391

IUPAC3-hydroxypentane-2,4-dione;zinc
SMILESCC(=O)C(O)C(C)=O.[Zn]
InChIInChI=1S/C5H8O3.Zn/c1-3(6)5(8)4(2)7;/h5,8H,1-2H3;
InChIKeyCVJPTFLLDISCBB-UHFFFAOYSA-N
MW181.51 g/mol
LogP-0.48
Rot. Bonds2

About 3-hydroxypentane-2,4-dione;zinc

3-hydroxypentane-2,4-dione;zinc (PubChem CID 171785391) has the molecular formula C5H8O3Zn and a molecular weight of 181.51 g/mol. Its IUPAC name is 3-hydroxypentane-2,4-dione;zinc.

Molecular Properties

Compound Name3-hydroxypentane-2,4-dione;zinc
PubChem CID171785391
Molecular FormulaC5H8O3Zn
Molecular Weight181.51 g/mol
Exact Mass179.98
IUPAC Name3-hydroxypentane-2,4-dione;zinc
SMILESCC(=O)C(O)C(C)=O.[Zn]
InChIInChI=1S/C5H8O3.Zn/c1-3(6)5(8)4(2)7;/h5,8H,1-2H3;
InChIKeyCVJPTFLLDISCBB-UHFFFAOYSA-N
XLogP-0.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.51
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentane-2,4-dione;zinc?
The IUPAC name of 3-hydroxypentane-2,4-dione;zinc (CID 171785391) is 3-hydroxypentane-2,4-dione;zinc.
What is the SMILES notation for 3-hydroxypentane-2,4-dione;zinc?
The canonical SMILES for 3-hydroxypentane-2,4-dione;zinc is CC(=O)C(O)C(C)=O.[Zn].
What is the InChIKey of 3-hydroxypentane-2,4-dione;zinc?
The InChIKey is CVJPTFLLDISCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.Zn/c1-3(6)5(8)4(2)7;/h5,8H,1-2H3;.
What are the key properties of 3-hydroxypentane-2,4-dione;zinc?
3-hydroxypentane-2,4-dione;zinc has a molecular weight of 181.51 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentane-2,4-dione;zinc is sourced from PubChem (CID 171785391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).