potassium;ethenesulfonate;ethenyl propanoate

C7H11KO5S — CID 175009551

IUPACpotassium;ethenesulfonate;ethenyl propanoate
SMILESC=COC(=O)CC.C=CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H8O2.C2H4O3S.K/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyGKJFUIOTIVUIRO-UHFFFAOYSA-M
MW246.32 g/mol
LogP-2.24
Rot. Bonds3

About potassium;ethenesulfonate;ethenyl propanoate

potassium;ethenesulfonate;ethenyl propanoate (PubChem CID 175009551) has the molecular formula C7H11KO5S and a molecular weight of 246.32 g/mol. Its IUPAC name is potassium;ethenesulfonate;ethenyl propanoate.

Molecular Properties

Compound Namepotassium;ethenesulfonate;ethenyl propanoate
PubChem CID175009551
Molecular FormulaC7H11KO5S
Molecular Weight246.32 g/mol
Exact Mass246.00
IUPAC Namepotassium;ethenesulfonate;ethenyl propanoate
SMILESC=COC(=O)CC.C=CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H8O2.C2H4O3S.K/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyGKJFUIOTIVUIRO-UHFFFAOYSA-M
XLogP-2.24
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;ethenesulfonate;ethenyl propanoate?
The IUPAC name of potassium;ethenesulfonate;ethenyl propanoate (CID 175009551) is potassium;ethenesulfonate;ethenyl propanoate.
What is the SMILES notation for potassium;ethenesulfonate;ethenyl propanoate?
The canonical SMILES for potassium;ethenesulfonate;ethenyl propanoate is C=COC(=O)CC.C=CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium;ethenesulfonate;ethenyl propanoate?
The InChIKey is GKJFUIOTIVUIRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O2.C2H4O3S.K/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of potassium;ethenesulfonate;ethenyl propanoate?
potassium;ethenesulfonate;ethenyl propanoate has a molecular weight of 246.32 g/mol, XLogP of -2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethenesulfonate;ethenyl propanoate is sourced from PubChem (CID 175009551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).