potassium pentane-2,4-dione

C5H7KO2 — CID 23687521

IUPACpotassium pentane-2,4-dione
SMILESCC(=O)[CH-]C(C)=O.[K+]
InChIInChI=1S/C5H7O2.K/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1
InChIKeyWARGEQHDZDMUQJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP-2.63
Rot. Bonds2

About potassium pentane-2,4-dione

potassium pentane-2,4-dione (PubChem CID 23687521) has the molecular formula C5H7KO2 and a molecular weight of 138.21 g/mol. Its IUPAC name is potassium pentane-2,4-dione.

Molecular Properties

Compound Namepotassium pentane-2,4-dione
PubChem CID23687521
Molecular FormulaC5H7KO2
Molecular Weight138.21 g/mol
Exact Mass138.01
IUPAC Namepotassium pentane-2,4-dione
SMILESCC(=O)[CH-]C(C)=O.[K+]
InChIInChI=1S/C5H7O2.K/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1
InChIKeyWARGEQHDZDMUQJ-UHFFFAOYSA-N
XLogP-2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 23687521) 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)[CH-]C(C)=O.[K+].
What is the InChIKey of potassium pentane-2,4-dione?
The InChIKey is WARGEQHDZDMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.K/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+1.
What are the key properties of potassium pentane-2,4-dione?
potassium pentane-2,4-dione has a molecular weight of 138.21 g/mol, XLogP of -2.63, 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 23687521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).