potassium 2-undecyltridecyl sulfate

C24H49KO4S — CID 101287524

IUPACpotassium 2-undecyltridecyl sulfate
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)COS(=O)(=O)[O-].[K+]
InChIInChI=1S/C24H50O4S.K/c1-3-5-7-9-11-13-15-17-19-21-24(23-28-29(25,26)27)22-20-18-16-14-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H,25,26,27);/q;+1/p-1
InChIKeyBENVBMCBVTYSSF-UHFFFAOYSA-M
MW472.82 g/mol
LogP4.93
Rot. Bonds23

About potassium 2-undecyltridecyl sulfate

potassium 2-undecyltridecyl sulfate (PubChem CID 101287524) has the molecular formula C24H49KO4S and a molecular weight of 472.82 g/mol. Its IUPAC name is potassium 2-undecyltridecyl sulfate.

Molecular Properties

Compound Namepotassium 2-undecyltridecyl sulfate
PubChem CID101287524
Molecular FormulaC24H49KO4S
Molecular Weight472.82 g/mol
Exact Mass472.30
IUPAC Namepotassium 2-undecyltridecyl sulfate
SMILESCCCCCCCCCCCC(CCCCCCCCCCC)COS(=O)(=O)[O-].[K+]
InChIInChI=1S/C24H50O4S.K/c1-3-5-7-9-11-13-15-17-19-21-24(23-28-29(25,26)27)22-20-18-16-14-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H,25,26,27);/q;+1/p-1
InChIKeyBENVBMCBVTYSSF-UHFFFAOYSA-M
XLogP4.93
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.82
LogP ≤ 54.93
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

potassium 2-tetradecyltricosyl sulfate
CID 101287683
potassium 2-heptylicosyl sulfate
CID 101287342
potassium 2-octadecyldocosyl sulfate
CID 101289310
potassium 2-tridecylpentadecyl sulfate
CID 101287616
sodium 2-tetradecyltricosyl sulfate
CID 101287685
calcium bis(2-hexyloctyl sulfate)
CID 101287238
calcium bis(2-hexadecylnonadecyl sulfate)
CID 101289257
sodium 2-hexadecyldocosyl sulfate
CID 101289268
calcium bis(2-nonylpentadecyl sulfate)
CID 101287437
calcium bis(2-hexylpentadecyl sulfate)
CID 101287263
calcium bis(2-icosyldocosyl sulfate)
CID 101289341
sodium 2-heptylhexadecyl sulfate
CID 101287328

Frequently Asked Questions

What is the IUPAC name of potassium 2-undecyltridecyl sulfate?
The IUPAC name of potassium 2-undecyltridecyl sulfate (CID 101287524) is potassium 2-undecyltridecyl sulfate.
What is the SMILES notation for potassium 2-undecyltridecyl sulfate?
The canonical SMILES for potassium 2-undecyltridecyl sulfate is CCCCCCCCCCCC(CCCCCCCCCCC)COS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-undecyltridecyl sulfate?
The InChIKey is BENVBMCBVTYSSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H50O4S.K/c1-3-5-7-9-11-13-15-17-19-21-24(23-28-29(25,26)27)22-20-18-16-14-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H,25,26,27);/q;+1/p-1.
What are the key properties of potassium 2-undecyltridecyl sulfate?
potassium 2-undecyltridecyl sulfate has a molecular weight of 472.82 g/mol, XLogP of 4.93, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-undecyltridecyl sulfate is sourced from PubChem (CID 101287524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).