potassium (E)-pent-2-ene-2-sulfonate

C5H9KO3S — CID 134985943

IUPACpotassium (E)-pent-2-ene-2-sulfonate
SMILESCC/C=C(\C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H10O3S.K/c1-3-4-5(2)9(6,7)8;/h4H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1/b5-4+;
InChIKeyXRNYQJPVXBERNU-FXRZFVDSSA-M
MW188.29 g/mol
LogP-2.15
Rot. Bonds2

About potassium (E)-pent-2-ene-2-sulfonate

potassium (E)-pent-2-ene-2-sulfonate (PubChem CID 134985943) has the molecular formula C5H9KO3S and a molecular weight of 188.29 g/mol. Its IUPAC name is potassium (E)-pent-2-ene-2-sulfonate.

Molecular Properties

Compound Namepotassium (E)-pent-2-ene-2-sulfonate
PubChem CID134985943
Molecular FormulaC5H9KO3S
Molecular Weight188.29 g/mol
Exact Mass187.99
IUPAC Namepotassium (E)-pent-2-ene-2-sulfonate
SMILESCC/C=C(\C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C5H10O3S.K/c1-3-4-5(2)9(6,7)8;/h4H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1/b5-4+;
InChIKeyXRNYQJPVXBERNU-FXRZFVDSSA-M
XLogP-2.15
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (E)-pent-2-ene-2-sulfonate?
The IUPAC name of potassium (E)-pent-2-ene-2-sulfonate (CID 134985943) is potassium (E)-pent-2-ene-2-sulfonate.
What is the SMILES notation for potassium (E)-pent-2-ene-2-sulfonate?
The canonical SMILES for potassium (E)-pent-2-ene-2-sulfonate is CC/C=C(\C)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium (E)-pent-2-ene-2-sulfonate?
The InChIKey is XRNYQJPVXBERNU-FXRZFVDSSA-M. The full InChI is InChI=1S/C5H10O3S.K/c1-3-4-5(2)9(6,7)8;/h4H,3H2,1-2H3,(H,6,7,8);/q;+1/p-1/b5-4+;.
What are the key properties of potassium (E)-pent-2-ene-2-sulfonate?
potassium (E)-pent-2-ene-2-sulfonate has a molecular weight of 188.29 g/mol, XLogP of -2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-pent-2-ene-2-sulfonate is sourced from PubChem (CID 134985943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).