potassium hexyl sulfate

C6H13KO4S — CID 23668628

IUPACpotassium hexyl sulfate
SMILESCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C6H14O4S.K/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1
InChIKeyAJKHLYLYOXLEEN-UHFFFAOYSA-M
MW220.33 g/mol
LogP-1.95
Rot. Bonds6

About potassium hexyl sulfate

potassium hexyl sulfate (PubChem CID 23668628) has the molecular formula C6H13KO4S and a molecular weight of 220.33 g/mol. Its IUPAC name is potassium hexyl sulfate.

Molecular Properties

Compound Namepotassium hexyl sulfate
PubChem CID23668628
Molecular FormulaC6H13KO4S
Molecular Weight220.33 g/mol
Exact Mass220.02
IUPAC Namepotassium hexyl sulfate
SMILESCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C6H14O4S.K/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1
InChIKeyAJKHLYLYOXLEEN-UHFFFAOYSA-M
XLogP-1.95
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sodium Hexyl Sulfate
CID 23678858
Hexyl sulfate
CID 3968640
Pentyl sulfate
CID 6365119
Sodium n-heptyl sulfate
CID 23668352
Sulfuric acid monohexyl ester
CID 75157
Heptyl sulfate
CID 22497782
Hexyl sulfurofluoridate
CID 13414497
Dihexyl sulfate
CID 14747182
Sulfuric acid, monohexyl ester, ammonium salt (1:1)
CID 6365713
Methyl n-amyl sulfate
CID 14877087
Hexane sufonate
CID 20316876
Ethylhexyl sulfate
CID 21932421

Frequently Asked Questions

What is the IUPAC name of potassium hexyl sulfate?
The IUPAC name of potassium hexyl sulfate (CID 23668628) is potassium hexyl sulfate.
What is the SMILES notation for potassium hexyl sulfate?
The canonical SMILES for potassium hexyl sulfate is CCCCCCOS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium hexyl sulfate?
The InChIKey is AJKHLYLYOXLEEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O4S.K/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of potassium hexyl sulfate?
potassium hexyl sulfate has a molecular weight of 220.33 g/mol, XLogP of -1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexyl sulfate is sourced from PubChem (CID 23668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).