potassium dodecyl sulfate

C12H25KO4S — CID 23669623

IUPACpotassium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyONQDVAFWWYYXHM-UHFFFAOYSA-M
MW304.49 g/mol
LogP0.39
Rot. Bonds12

About potassium dodecyl sulfate

potassium dodecyl sulfate (PubChem CID 23669623) has the molecular formula C12H25KO4S and a molecular weight of 304.49 g/mol. Its IUPAC name is potassium dodecyl sulfate.

Molecular Properties

Compound Namepotassium dodecyl sulfate
PubChem CID23669623
Molecular FormulaC12H25KO4S
Molecular Weight304.49 g/mol
Exact Mass304.11
IUPAC Namepotassium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyONQDVAFWWYYXHM-UHFFFAOYSA-M
XLogP0.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 50.39
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 Lauryl Sulfate
CID 3423265
Ammonium Lauryl Sulfate
CID 16700
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
Sodium Decyl Sulfate
CID 23665771
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Myristyl sulfate
CID 5248
Lithium dodecyl sulphate
CID 2735071

Frequently Asked Questions

What is the IUPAC name of potassium dodecyl sulfate?
The IUPAC name of potassium dodecyl sulfate (CID 23669623) is potassium dodecyl sulfate.
What is the SMILES notation for potassium dodecyl sulfate?
The canonical SMILES for potassium dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium dodecyl sulfate?
The InChIKey is ONQDVAFWWYYXHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium dodecyl sulfate?
potassium dodecyl sulfate has a molecular weight of 304.49 g/mol, XLogP of 0.39, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dodecyl sulfate is sourced from PubChem (CID 23669623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).