potassium decyl sulfate

C10H21KO4S — CID 23673657

IUPACpotassium decyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H22O4S.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyJTXIPOLAHSBNJM-UHFFFAOYSA-M
MW276.44 g/mol
LogP-0.39
Rot. Bonds10

About potassium decyl sulfate

potassium decyl sulfate (PubChem CID 23673657) has the molecular formula C10H21KO4S and a molecular weight of 276.44 g/mol. Its IUPAC name is potassium decyl sulfate.

Molecular Properties

Compound Namepotassium decyl sulfate
PubChem CID23673657
Molecular FormulaC10H21KO4S
Molecular Weight276.44 g/mol
Exact Mass276.08
IUPAC Namepotassium decyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H22O4S.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyJTXIPOLAHSBNJM-UHFFFAOYSA-M
XLogP-0.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 5-0.39
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

calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
copper(1+);dodecyl sulfate
CID 174360133
disodium bis(hexadecyl sulfate)
CID 10394875
magnesium bis(tricosyl sulfate)
CID 101286759
zinc octyl sulfate
CID 139716471
cesium dodecyl sulfate
CID 23711718
sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of potassium decyl sulfate?
The IUPAC name of potassium decyl sulfate (CID 23673657) is potassium decyl sulfate.
What is the SMILES notation for potassium decyl sulfate?
The canonical SMILES for potassium decyl sulfate is CCCCCCCCCCOS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium decyl sulfate?
The InChIKey is JTXIPOLAHSBNJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22O4S.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium decyl sulfate?
potassium decyl sulfate has a molecular weight of 276.44 g/mol, XLogP of -0.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium decyl sulfate is sourced from PubChem (CID 23673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).