potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid

C6H11KO5S — CID 173327634

IUPACpotassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C)C(=O)OCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H10O5S.K.H/c1-5(2)6(7)11-3-4-12(8,9)10;;/h1,3-4H2,2H3,(H,8,9,10);;/q;+1;-1
InChIKeyQGTHPGNLWQKCDT-UHFFFAOYSA-N
MW234.31 g/mol
LogP-2.89
Rot. Bonds4

About potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid

potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid (PubChem CID 173327634) has the molecular formula C6H11KO5S and a molecular weight of 234.31 g/mol. Its IUPAC name is potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
PubChem CID173327634
Molecular FormulaC6H11KO5S
Molecular Weight234.31 g/mol
Exact Mass234.00
IUPAC Namepotassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C)C(=O)OCCS(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C6H10O5S.K.H/c1-5(2)6(7)11-3-4-12(8,9)10;;/h1,3-4H2,2H3,(H,8,9,10);;/q;+1;-1
InChIKeyQGTHPGNLWQKCDT-UHFFFAOYSA-N
XLogP-2.89
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-2.89
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'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;prop-2-enoic acid
CID 163742520
azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
CID 174612493
3-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]propane-1-sulfonic acid
CID 89470521
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
CID 87705635
CID 87705635
CID 172829845
CID 172829845
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;1-(prop-2-enoylamino)butane-1-sulfonic acid
CID 87135022
dibutyl-[3-(2-methylprop-2-enoyloxy)propyl]-(3-sulfopropyl)azanium
CID 134346440
hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 53470662

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The IUPAC name of potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid (CID 173327634) is potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid.
What is the SMILES notation for potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The canonical SMILES for potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid is C=C(C)C(=O)OCCS(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The InChIKey is QGTHPGNLWQKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S.K.H/c1-5(2)6(7)11-3-4-12(8,9)10;;/h1,3-4H2,2H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid has a molecular weight of 234.31 g/mol, XLogP of -2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid is sourced from PubChem (CID 173327634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).