potassium;hydride;2-hydroxyethylsulfonyl decanoate

C12H25KO5S — CID 173291216

IUPACpotassium;hydride;2-hydroxyethylsulfonyl decanoate
SMILESCCCCCCCCCC(=O)OS(=O)(=O)CCO.[H-].[K+]
InChIInChI=1S/C12H24O5S.K.H/c1-2-3-4-5-6-7-8-9-12(14)17-18(15,16)11-10-13;;/h13H,2-11H2,1H3;;/q;+1;-1
InChIKeyKHSCYAIXZLAAIW-UHFFFAOYSA-N
MW320.49 g/mol
LogP-0.89
Rot. Bonds11

About potassium;hydride;2-hydroxyethylsulfonyl decanoate

potassium;hydride;2-hydroxyethylsulfonyl decanoate (PubChem CID 173291216) has the molecular formula C12H25KO5S and a molecular weight of 320.49 g/mol. Its IUPAC name is potassium;hydride;2-hydroxyethylsulfonyl decanoate.

Molecular Properties

Compound Namepotassium;hydride;2-hydroxyethylsulfonyl decanoate
PubChem CID173291216
Molecular FormulaC12H25KO5S
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Namepotassium;hydride;2-hydroxyethylsulfonyl decanoate
SMILESCCCCCCCCCC(=O)OS(=O)(=O)CCO.[H-].[K+]
InChIInChI=1S/C12H24O5S.K.H/c1-2-3-4-5-6-7-8-9-12(14)17-18(15,16)11-10-13;;/h13H,2-11H2,1H3;;/q;+1;-1
InChIKeyKHSCYAIXZLAAIW-UHFFFAOYSA-N
XLogP-0.89
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethylsulfonyl hexanoate
CID 23466399
bis(tetradecylsulfonyl) butanedioate
CID 57157318
3-hydroxypropylsulfonyl (Z)-octadec-9-enoate
CID 175577720
sodium 2-octadecanoyloxysulfonylethanolate
CID 130403945
sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide
CID 23678907
calcium;hydride;sulfo octadecanoate
CID 173018133
sodium 4-oxo-4-tridecylsulfonyloxybutanoate
CID 174263731
2-aminoethylsulfonyl pentacosa-10,12-diynoate
CID 54401248
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
pentyl 2-hydroxyethanesulfonate
CID 87090117
potassium;hydride;methyl octadecanoate
CID 175153010
lithium;hydride;octadecaneperoxoic acid
CID 173037900

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-hydroxyethylsulfonyl decanoate?
The IUPAC name of potassium;hydride;2-hydroxyethylsulfonyl decanoate (CID 173291216) is potassium;hydride;2-hydroxyethylsulfonyl decanoate.
What is the SMILES notation for potassium;hydride;2-hydroxyethylsulfonyl decanoate?
The canonical SMILES for potassium;hydride;2-hydroxyethylsulfonyl decanoate is CCCCCCCCCC(=O)OS(=O)(=O)CCO.[H-].[K+].
What is the InChIKey of potassium;hydride;2-hydroxyethylsulfonyl decanoate?
The InChIKey is KHSCYAIXZLAAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5S.K.H/c1-2-3-4-5-6-7-8-9-12(14)17-18(15,16)11-10-13;;/h13H,2-11H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;2-hydroxyethylsulfonyl decanoate?
potassium;hydride;2-hydroxyethylsulfonyl decanoate has a molecular weight of 320.49 g/mol, XLogP of -0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-hydroxyethylsulfonyl decanoate is sourced from PubChem (CID 173291216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).