potassium 2-ethenoxybenzenesulfonate

C8H7KO4S — CID 23696775

IUPACpotassium 2-ethenoxybenzenesulfonate
SMILESC=COc1ccccc1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H8O4S.K/c1-2-12-7-5-3-4-6-8(7)13(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InChIKeyRWTNDBYQABFGKZ-UHFFFAOYSA-M
MW238.30 g/mol
LogP-1.88
Rot. Bonds3

About potassium 2-ethenoxybenzenesulfonate

potassium 2-ethenoxybenzenesulfonate (PubChem CID 23696775) has the molecular formula C8H7KO4S and a molecular weight of 238.30 g/mol. Its IUPAC name is potassium 2-ethenoxybenzenesulfonate.

Molecular Properties

Compound Namepotassium 2-ethenoxybenzenesulfonate
PubChem CID23696775
Molecular FormulaC8H7KO4S
Molecular Weight238.30 g/mol
Exact Mass237.97
IUPAC Namepotassium 2-ethenoxybenzenesulfonate
SMILESC=COc1ccccc1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H8O4S.K/c1-2-12-7-5-3-4-6-8(7)13(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InChIKeyRWTNDBYQABFGKZ-UHFFFAOYSA-M
XLogP-1.88
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-ethenoxybenzenesulfonate?
The IUPAC name of potassium 2-ethenoxybenzenesulfonate (CID 23696775) is potassium 2-ethenoxybenzenesulfonate.
What is the SMILES notation for potassium 2-ethenoxybenzenesulfonate?
The canonical SMILES for potassium 2-ethenoxybenzenesulfonate is C=COc1ccccc1S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-ethenoxybenzenesulfonate?
The InChIKey is RWTNDBYQABFGKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O4S.K/c1-2-12-7-5-3-4-6-8(7)13(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of potassium 2-ethenoxybenzenesulfonate?
potassium 2-ethenoxybenzenesulfonate has a molecular weight of 238.30 g/mol, XLogP of -1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethenoxybenzenesulfonate is sourced from PubChem (CID 23696775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).