potassium;dodecyl hydrogen sulfate;propane

C15H33KO4S — CID 175112057

IUPACpotassium;dodecyl hydrogen sulfate;propane
SMILESCCCCCCCCCCCCOS(=O)(=O)O.[CH2-]CC.[K+]
InChIInChI=1S/C12H26O4S.C3H7.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);1,3H2,2H3;/q;-1;+1
InChIKeySRRXJSOZRHTIRK-UHFFFAOYSA-N
MW348.59 g/mol
LogP1.96
Rot. Bonds12

About potassium;dodecyl hydrogen sulfate;propane

potassium;dodecyl hydrogen sulfate;propane (PubChem CID 175112057) has the molecular formula C15H33KO4S and a molecular weight of 348.59 g/mol. Its IUPAC name is potassium;dodecyl hydrogen sulfate;propane.

Molecular Properties

Compound Namepotassium;dodecyl hydrogen sulfate;propane
PubChem CID175112057
Molecular FormulaC15H33KO4S
Molecular Weight348.59 g/mol
Exact Mass348.17
IUPAC Namepotassium;dodecyl hydrogen sulfate;propane
SMILESCCCCCCCCCCCCOS(=O)(=O)O.[CH2-]CC.[K+]
InChIInChI=1S/C12H26O4S.C3H7.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);1,3H2,2H3;/q;-1;+1
InChIKeySRRXJSOZRHTIRK-UHFFFAOYSA-N
XLogP1.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.59
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743

Frequently Asked Questions

What is the IUPAC name of potassium;dodecyl hydrogen sulfate;propane?
The IUPAC name of potassium;dodecyl hydrogen sulfate;propane (CID 175112057) is potassium;dodecyl hydrogen sulfate;propane.
What is the SMILES notation for potassium;dodecyl hydrogen sulfate;propane?
The canonical SMILES for potassium;dodecyl hydrogen sulfate;propane is CCCCCCCCCCCCOS(=O)(=O)O.[CH2-]CC.[K+].
What is the InChIKey of potassium;dodecyl hydrogen sulfate;propane?
The InChIKey is SRRXJSOZRHTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S.C3H7.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-2;/h2-12H2,1H3,(H,13,14,15);1,3H2,2H3;/q;-1;+1.
What are the key properties of potassium;dodecyl hydrogen sulfate;propane?
potassium;dodecyl hydrogen sulfate;propane has a molecular weight of 348.59 g/mol, XLogP of 1.96, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dodecyl hydrogen sulfate;propane is sourced from PubChem (CID 175112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).