potassium 3-methoxydioxiran-3-olate

C2H3KO4 — CID 88712055

IUPACpotassium 3-methoxydioxiran-3-olate
SMILESCOC1([O-])OO1.[K+]
InChIInChI=1S/C2H3O4.K/c1-4-2(3)5-6-2;/h1H3;/q-1;+1
InChIKeyCWNQDOVSDRYWBB-UHFFFAOYSA-N
MW130.14 g/mol
LogP-4.43
Rot. Bonds1

About potassium 3-methoxydioxiran-3-olate

potassium 3-methoxydioxiran-3-olate (PubChem CID 88712055) has the molecular formula C2H3KO4 and a molecular weight of 130.14 g/mol. Its IUPAC name is potassium 3-methoxydioxiran-3-olate.

Molecular Properties

Compound Namepotassium 3-methoxydioxiran-3-olate
PubChem CID88712055
Molecular FormulaC2H3KO4
Molecular Weight130.14 g/mol
Exact Mass129.97
IUPAC Namepotassium 3-methoxydioxiran-3-olate
SMILESCOC1([O-])OO1.[K+]
InChIInChI=1S/C2H3O4.K/c1-4-2(3)5-6-2;/h1H3;/q-1;+1
InChIKeyCWNQDOVSDRYWBB-UHFFFAOYSA-N
XLogP-4.43
TPSA57.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-4.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

magnesium;3,3-dimethoxydioxirane;hydride
CID 174272624
potassium methanidyloxymethane
CID 13214718
lanthanum;3-methoxydioxiran-3-ol
CID 175608723
azane;3-methoxydioxiran-3-ol
CID 174848331
sodium;iron;3-methyldioxiran-3-olate
CID 174549643
λ2-plumbane;methoxymethane
CID 174743176
methoxymethane;hydrate
CID 18323453
methoxymethane;titanium
CID 159442772
ethane;methoxymethane
CID 91263182
alumane;methoxymethane
CID 173236671
potassium;azanide;methanidyloxymethane
CID 157392876
CID 174851641
CID 174851641

Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxydioxiran-3-olate?
The IUPAC name of potassium 3-methoxydioxiran-3-olate (CID 88712055) is potassium 3-methoxydioxiran-3-olate.
What is the SMILES notation for potassium 3-methoxydioxiran-3-olate?
The canonical SMILES for potassium 3-methoxydioxiran-3-olate is COC1([O-])OO1.[K+].
What is the InChIKey of potassium 3-methoxydioxiran-3-olate?
The InChIKey is CWNQDOVSDRYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O4.K/c1-4-2(3)5-6-2;/h1H3;/q-1;+1.
What are the key properties of potassium 3-methoxydioxiran-3-olate?
potassium 3-methoxydioxiran-3-olate has a molecular weight of 130.14 g/mol, XLogP of -4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxydioxiran-3-olate is sourced from PubChem (CID 88712055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).