pentan-2-one;zinc

C5H10OZn — CID 88629307

IUPACpentan-2-one;zinc
SMILESCCCC(C)=O.[Zn]
InChIInChI=1S/C5H10O.Zn/c1-3-4-5(2)6;/h3-4H2,1-2H3;
InChIKeyDLPBAUHVXQMEPB-UHFFFAOYSA-N
MW151.52 g/mol
LogP1.37
Rot. Bonds2

About pentan-2-one;zinc

pentan-2-one;zinc (PubChem CID 88629307) has the molecular formula C5H10OZn and a molecular weight of 151.52 g/mol. Its IUPAC name is pentan-2-one;zinc.

Molecular Properties

Compound Namepentan-2-one;zinc
PubChem CID88629307
Molecular FormulaC5H10OZn
Molecular Weight151.52 g/mol
Exact Mass150.00
IUPAC Namepentan-2-one;zinc
SMILESCCCC(C)=O.[Zn]
InChIInChI=1S/C5H10O.Zn/c1-3-4-5(2)6;/h3-4H2,1-2H3;
InChIKeyDLPBAUHVXQMEPB-UHFFFAOYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.52
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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oxetane;pentan-2-one
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CID 8035

Frequently Asked Questions

What is the IUPAC name of pentan-2-one;zinc?
The IUPAC name of pentan-2-one;zinc (CID 88629307) is pentan-2-one;zinc.
What is the SMILES notation for pentan-2-one;zinc?
The canonical SMILES for pentan-2-one;zinc is CCCC(C)=O.[Zn].
What is the InChIKey of pentan-2-one;zinc?
The InChIKey is DLPBAUHVXQMEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Zn/c1-3-4-5(2)6;/h3-4H2,1-2H3;.
What are the key properties of pentan-2-one;zinc?
pentan-2-one;zinc has a molecular weight of 151.52 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-one;zinc is sourced from PubChem (CID 88629307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).