potassium 1-methoxypropan-2-olate

C4H9KO2 — CID 142707794

IUPACpotassium 1-methoxypropan-2-olate
SMILESCOCC(C)[O-].[K+]
InChIInChI=1S/C4H9O2.K/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyOVBFEZKUJAUFRJ-UHFFFAOYSA-N
MW128.21 g/mol
LogP-3.61
Rot. Bonds2

About potassium 1-methoxypropan-2-olate

potassium 1-methoxypropan-2-olate (PubChem CID 142707794) has the molecular formula C4H9KO2 and a molecular weight of 128.21 g/mol. Its IUPAC name is potassium 1-methoxypropan-2-olate.

Molecular Properties

Compound Namepotassium 1-methoxypropan-2-olate
PubChem CID142707794
Molecular FormulaC4H9KO2
Molecular Weight128.21 g/mol
Exact Mass128.02
IUPAC Namepotassium 1-methoxypropan-2-olate
SMILESCOCC(C)[O-].[K+]
InChIInChI=1S/C4H9O2.K/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyOVBFEZKUJAUFRJ-UHFFFAOYSA-N
XLogP-3.61
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 1-methoxypropan-2-olate?
The IUPAC name of potassium 1-methoxypropan-2-olate (CID 142707794) is potassium 1-methoxypropan-2-olate.
What is the SMILES notation for potassium 1-methoxypropan-2-olate?
The canonical SMILES for potassium 1-methoxypropan-2-olate is COCC(C)[O-].[K+].
What is the InChIKey of potassium 1-methoxypropan-2-olate?
The InChIKey is OVBFEZKUJAUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2.K/c1-4(5)3-6-2;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of potassium 1-methoxypropan-2-olate?
potassium 1-methoxypropan-2-olate has a molecular weight of 128.21 g/mol, XLogP of -3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methoxypropan-2-olate is sourced from PubChem (CID 142707794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).