potassium undecane-1-sulfonate

C11H23KO3S — CID 23711356

IUPACpotassium undecane-1-sulfonate
SMILESCCCCCCCCCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C11H24O3S.K/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyXUCIBYHOOHJABG-UHFFFAOYSA-M
MW274.47 g/mol
LogP0.07
Rot. Bonds10

About potassium undecane-1-sulfonate

potassium undecane-1-sulfonate (PubChem CID 23711356) has the molecular formula C11H23KO3S and a molecular weight of 274.47 g/mol. Its IUPAC name is potassium undecane-1-sulfonate.

Molecular Properties

Compound Namepotassium undecane-1-sulfonate
PubChem CID23711356
Molecular FormulaC11H23KO3S
Molecular Weight274.47 g/mol
Exact Mass274.10
IUPAC Namepotassium undecane-1-sulfonate
SMILESCCCCCCCCCCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C11H24O3S.K/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyXUCIBYHOOHJABG-UHFFFAOYSA-M
XLogP0.07
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium tridecane-1-sulfonate
CID 23711351
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
sodium dodecane-1-sulfonate
CID 23665726
zinc bis(tetradecane-1-sulfonate)
CID 139716467
tris(dodecane-1-sulfonate);scandium(3+)
CID 11650744

Frequently Asked Questions

What is the IUPAC name of potassium undecane-1-sulfonate?
The IUPAC name of potassium undecane-1-sulfonate (CID 23711356) is potassium undecane-1-sulfonate.
What is the SMILES notation for potassium undecane-1-sulfonate?
The canonical SMILES for potassium undecane-1-sulfonate is CCCCCCCCCCCS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium undecane-1-sulfonate?
The InChIKey is XUCIBYHOOHJABG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24O3S.K/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium undecane-1-sulfonate?
potassium undecane-1-sulfonate has a molecular weight of 274.47 g/mol, XLogP of 0.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium undecane-1-sulfonate is sourced from PubChem (CID 23711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).