potassium methyl acetate

C3H5KO2 — CID 58140264

IUPACpotassium methyl acetate
SMILES[CH2-]C(=O)OC.[K+]
InChIInChI=1S/C3H5O2.K/c1-3(4)5-2;/h1H2,2H3;/q-1;+1
InChIKeyHUWBAGGWLBPAOZ-UHFFFAOYSA-N
MW112.17 g/mol
LogP-3.00
Rot. Bonds

About potassium methyl acetate

potassium methyl acetate (PubChem CID 58140264) has the molecular formula C3H5KO2 and a molecular weight of 112.17 g/mol. Its IUPAC name is potassium methyl acetate.

Molecular Properties

Compound Namepotassium methyl acetate
PubChem CID58140264
Molecular FormulaC3H5KO2
Molecular Weight112.17 g/mol
Exact Mass111.99
IUPAC Namepotassium methyl acetate
SMILES[CH2-]C(=O)OC.[K+]
InChIInChI=1S/C3H5O2.K/c1-3(4)5-2;/h1H2,2H3;/q-1;+1
InChIKeyHUWBAGGWLBPAOZ-UHFFFAOYSA-N
XLogP-3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium methoxycarbonylazanide
CID 167431828
methyl boranylformate
CID 4077688
methyl acetate;ruthenium
CID 160799101
dimethyl oxalate
CID 11120
cyclopenta-1,3-diene;methyl acetate;titanium(3+);trichloride
CID 173140653
acetic acid;methane;methanidyloxymethane;tungsten
CID 162103721
dilithium;methyl 3-oxobutanoate
CID 11116076
methane;methyl acetate
CID 158871569
carbonic acid;methyl hydrogen carbonate
CID 175554276
argon;methyl acetate
CID 169424774
dimethyl carbonate;ethane
CID 160632176
bismuthane;methyl acetate
CID 174537209

Frequently Asked Questions

What is the IUPAC name of potassium methyl acetate?
The IUPAC name of potassium methyl acetate (CID 58140264) is potassium methyl acetate.
What is the SMILES notation for potassium methyl acetate?
The canonical SMILES for potassium methyl acetate is [CH2-]C(=O)OC.[K+].
What is the InChIKey of potassium methyl acetate?
The InChIKey is HUWBAGGWLBPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2.K/c1-3(4)5-2;/h1H2,2H3;/q-1;+1.
What are the key properties of potassium methyl acetate?
potassium methyl acetate has a molecular weight of 112.17 g/mol, XLogP of -3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methyl acetate is sourced from PubChem (CID 58140264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).