potassium 2-methylpropan-1-one

C4H7KO — CID 59962400

IUPACpotassium 2-methylpropan-1-one
SMILESCC(C)[C-]=O.[K+]
InChIInChI=1S/C4H7O.K/c1-4(2)3-5;/h4H,1-2H3;/q-1;+1
InChIKeyNVEGDVUPVLIEKT-UHFFFAOYSA-N
MW110.20 g/mol
LogP-2.24
Rot. Bonds1

About potassium 2-methylpropan-1-one

potassium 2-methylpropan-1-one (PubChem CID 59962400) has the molecular formula C4H7KO and a molecular weight of 110.20 g/mol. Its IUPAC name is potassium 2-methylpropan-1-one.

Molecular Properties

Compound Namepotassium 2-methylpropan-1-one
PubChem CID59962400
Molecular FormulaC4H7KO
Molecular Weight110.20 g/mol
Exact Mass110.01
IUPAC Namepotassium 2-methylpropan-1-one
SMILESCC(C)[C-]=O.[K+]
InChIInChI=1S/C4H7O.K/c1-4(2)3-5;/h4H,1-2H3;/q-1;+1
InChIKeyNVEGDVUPVLIEKT-UHFFFAOYSA-N
XLogP-2.24
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 ≤ 5-2.24
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

acetic acid;ethanone;2-methylpropan-1-one;silver
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2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)
CID 172514769
pentakis(2-hydroxypropan-1-one);zinc
CID 175701259
2-methanidylpropan-1-one;prop-1-ene;tungsten;uranium(2+)
CID 158408709
carbanide;2-methanidyl-3-methylbut-1-ene;bis(2-methanidylpropane);bis(2-methylbutane);bis(2-methylpropan-1-one);propane;(yttrium)
CID 167624012
2-methanidylpropane;phosphanylmethanone;bis(yttrium)
CID 58100891
2,4-dimethylhexan-1-one;yttrium
CID 58435599
3-methylbutan-1-one;tungsten
CID 59970650
potassium 3,3-dihydroxy-2-methylpropanoate
CID 175445001
bis(2-ethyl-3-hydroxyhexan-1-one);titanium(2+)
CID 175509544
formaldehyde;2-methylpropane
CID 157396277
ethanone;lanthanum(3+)
CID 177438254

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylpropan-1-one?
The IUPAC name of potassium 2-methylpropan-1-one (CID 59962400) is potassium 2-methylpropan-1-one.
What is the SMILES notation for potassium 2-methylpropan-1-one?
The canonical SMILES for potassium 2-methylpropan-1-one is CC(C)[C-]=O.[K+].
What is the InChIKey of potassium 2-methylpropan-1-one?
The InChIKey is NVEGDVUPVLIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.K/c1-4(2)3-5;/h4H,1-2H3;/q-1;+1.
What are the key properties of potassium 2-methylpropan-1-one?
potassium 2-methylpropan-1-one has a molecular weight of 110.20 g/mol, XLogP of -2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylpropan-1-one is sourced from PubChem (CID 59962400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).