potassium pentane-2,4-dione

C5H8KO2+ — CID 19762724

IUPACpotassium pentane-2,4-dione
SMILESCC(=O)CC(C)=O.[K+]
InChIInChI=1S/C5H8O2.K/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1
InChIKeyMRUJNIAKPWYVIK-UHFFFAOYSA-N
MW139.22 g/mol
LogP-2.44
Rot. Bonds2

About potassium pentane-2,4-dione

potassium pentane-2,4-dione (PubChem CID 19762724) has the molecular formula C5H8KO2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is potassium pentane-2,4-dione.

Molecular Properties

Compound Namepotassium pentane-2,4-dione
PubChem CID19762724
Molecular FormulaC5H8KO2+
Molecular Weight139.22 g/mol
Exact Mass139.02
IUPAC Namepotassium pentane-2,4-dione
SMILESCC(=O)CC(C)=O.[K+]
InChIInChI=1S/C5H8O2.K/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1
InChIKeyMRUJNIAKPWYVIK-UHFFFAOYSA-N
XLogP-2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium pentane-2,4-dione?
The IUPAC name of potassium pentane-2,4-dione (CID 19762724) is potassium pentane-2,4-dione.
What is the SMILES notation for potassium pentane-2,4-dione?
The canonical SMILES for potassium pentane-2,4-dione is CC(=O)CC(C)=O.[K+].
What is the InChIKey of potassium pentane-2,4-dione?
The InChIKey is MRUJNIAKPWYVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.K/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1.
What are the key properties of potassium pentane-2,4-dione?
potassium pentane-2,4-dione has a molecular weight of 139.22 g/mol, XLogP of -2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pentane-2,4-dione is sourced from PubChem (CID 19762724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).