potassium butan-2-one

C4H7KO — CID 11400740

IUPACpotassium butan-2-one
SMILES[CH2-]C(=O)CC.[K+]
InChIInChI=1S/C4H7O.K/c1-3-4(2)5;/h2-3H2,1H3;/q-1;+1
InChIKeyUKSVAHYTHLOIQN-UHFFFAOYSA-N
MW110.20 g/mol
LogP-2.20
Rot. Bonds1

About potassium butan-2-one

potassium butan-2-one (PubChem CID 11400740) has the molecular formula C4H7KO and a molecular weight of 110.20 g/mol. Its IUPAC name is potassium butan-2-one.

Molecular Properties

Compound Namepotassium butan-2-one
PubChem CID11400740
Molecular FormulaC4H7KO
Molecular Weight110.20 g/mol
Exact Mass110.01
IUPAC Namepotassium butan-2-one
SMILES[CH2-]C(=O)CC.[K+]
InChIInChI=1S/C4H7O.K/c1-3-4(2)5;/h2-3H2,1H3;/q-1;+1
InChIKeyUKSVAHYTHLOIQN-UHFFFAOYSA-N
XLogP-2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-2-one;propan-2-one;uranium
CID 160776251
acetic acid;butan-2-one;oxirane;propane;pentakis(yttrium)
CID 162178837
butan-2-one;dichlorocobalt
CID 158828987
CID 57352970
CID 57352970
propanoic acid;zirconium
CID 88666887
propanoic acid;dihydrofluoride
CID 173419874
bis(butan-2-one);methane
CID 160665705
mercury(2+);propanoic acid
CID 23623813
propanoic acid;hydrate
CID 57432895
CID 87066971
CID 87066971
propanoic acid;yttrium
CID 59015039
propanoate;hydrate
CID 19032208

Frequently Asked Questions

What is the IUPAC name of potassium butan-2-one?
The IUPAC name of potassium butan-2-one (CID 11400740) is potassium butan-2-one.
What is the SMILES notation for potassium butan-2-one?
The canonical SMILES for potassium butan-2-one is [CH2-]C(=O)CC.[K+].
What is the InChIKey of potassium butan-2-one?
The InChIKey is UKSVAHYTHLOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.K/c1-3-4(2)5;/h2-3H2,1H3;/q-1;+1.
What are the key properties of potassium butan-2-one?
potassium butan-2-one has a molecular weight of 110.20 g/mol, XLogP of -2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butan-2-one is sourced from PubChem (CID 11400740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).