potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid

C7H13KO5S — CID 174825834

IUPACpotassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid
SMILESCCCC=C(C(=O)OC)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H12O5S.K.H/c1-3-4-5-6(7(8)12-2)13(9,10)11;;/h5H,3-4H2,1-2H3,(H,9,10,11);;/q;+1;-1
InChIKeyUFUODAPSWMDGET-UHFFFAOYSA-N
MW248.34 g/mol
LogP-2.15
Rot. Bonds4

About potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid

potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid (PubChem CID 174825834) has the molecular formula C7H13KO5S and a molecular weight of 248.34 g/mol. Its IUPAC name is potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid
PubChem CID174825834
Molecular FormulaC7H13KO5S
Molecular Weight248.34 g/mol
Exact Mass248.01
IUPAC Namepotassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid
SMILESCCCC=C(C(=O)OC)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H12O5S.K.H/c1-3-4-5-6(7(8)12-2)13(9,10)11;;/h5H,3-4H2,1-2H3,(H,9,10,11);;/q;+1;-1
InChIKeyUFUODAPSWMDGET-UHFFFAOYSA-N
XLogP-2.15
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid?
The IUPAC name of potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid (CID 174825834) is potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid.
What is the SMILES notation for potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid?
The canonical SMILES for potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid is CCCC=C(C(=O)OC)S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid?
The InChIKey is UFUODAPSWMDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S.K.H/c1-3-4-5-6(7(8)12-2)13(9,10)11;;/h5H,3-4H2,1-2H3,(H,9,10,11);;/q;+1;-1.
What are the key properties of potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid?
potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid has a molecular weight of 248.34 g/mol, XLogP of -2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1-methoxy-1-oxohex-2-ene-2-sulfonic acid is sourced from PubChem (CID 174825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).