3-hydroxypentan-2-one;zinc

C5H10O2Zn — CID 174642767

IUPAC3-hydroxypentan-2-one;zinc
SMILESCCC(O)C(C)=O.[Zn]
InChIInChI=1S/C5H10O2.Zn/c1-3-5(7)4(2)6;/h5,7H,3H2,1-2H3;
InChIKeyHGGNZVLQCXNXLO-UHFFFAOYSA-N
MW167.52 g/mol
LogP0.34
Rot. Bonds2

About 3-hydroxypentan-2-one;zinc

3-hydroxypentan-2-one;zinc (PubChem CID 174642767) has the molecular formula C5H10O2Zn and a molecular weight of 167.52 g/mol. Its IUPAC name is 3-hydroxypentan-2-one;zinc.

Molecular Properties

Compound Name3-hydroxypentan-2-one;zinc
PubChem CID174642767
Molecular FormulaC5H10O2Zn
Molecular Weight167.52 g/mol
Exact Mass166.00
IUPAC Name3-hydroxypentan-2-one;zinc
SMILESCCC(O)C(C)=O.[Zn]
InChIInChI=1S/C5H10O2.Zn/c1-3-5(7)4(2)6;/h5,7H,3H2,1-2H3;
InChIKeyHGGNZVLQCXNXLO-UHFFFAOYSA-N
XLogP0.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.52
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentan-2-one;zinc?
The IUPAC name of 3-hydroxypentan-2-one;zinc (CID 174642767) is 3-hydroxypentan-2-one;zinc.
What is the SMILES notation for 3-hydroxypentan-2-one;zinc?
The canonical SMILES for 3-hydroxypentan-2-one;zinc is CCC(O)C(C)=O.[Zn].
What is the InChIKey of 3-hydroxypentan-2-one;zinc?
The InChIKey is HGGNZVLQCXNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Zn/c1-3-5(7)4(2)6;/h5,7H,3H2,1-2H3;.
What are the key properties of 3-hydroxypentan-2-one;zinc?
3-hydroxypentan-2-one;zinc has a molecular weight of 167.52 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentan-2-one;zinc is sourced from PubChem (CID 174642767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).