decyl-hexyl-dimethylazanium;hydron;sulfate

C18H41NO4S — CID 134207388

IUPACdecyl-hexyl-dimethylazanium;hydron;sulfate
SMILESCCCCCCCCCC[N+](C)(C)CCCCCC.O=S(=O)([O-])[O-].[H+]
InChIInChI=1S/C18H40N.H2O4S/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;1-5(2,3)4/h5-18H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyUFLLCXBCGBXVDA-UHFFFAOYSA-M
MW367.60 g/mol
LogP4.56
Rot. Bonds14

About decyl-hexyl-dimethylazanium;hydron;sulfate

decyl-hexyl-dimethylazanium;hydron;sulfate (PubChem CID 134207388) has the molecular formula C18H41NO4S and a molecular weight of 367.60 g/mol. Its IUPAC name is decyl-hexyl-dimethylazanium;hydron;sulfate.

Molecular Properties

Compound Namedecyl-hexyl-dimethylazanium;hydron;sulfate
PubChem CID134207388
Molecular FormulaC18H41NO4S
Molecular Weight367.60 g/mol
Exact Mass367.28
IUPAC Namedecyl-hexyl-dimethylazanium;hydron;sulfate
SMILESCCCCCCCCCC[N+](C)(C)CCCCCC.O=S(=O)([O-])[O-].[H+]
InChIInChI=1S/C18H40N.H2O4S/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;1-5(2,3)4/h5-18H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyUFLLCXBCGBXVDA-UHFFFAOYSA-M
XLogP4.56
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

didecyl(dimethyl)azanium sulfate
CID 21195390
didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701
3-[dimethyl(tridecyl)azaniumyl]propane-1-sulfonate;hydron
CID 101332740
butyl-dimethyl-octylazanium;hydrogen sulfate
CID 122481748
azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid
CID 174851908
3-[dimethyl(undecyl)azaniumyl]propane-1-sulfonate
CID 177400937
4-[dimethyl(pentadecyl)azaniumyl]butane-1-sulfonate
CID 59502469
dihexadecyl(dimethyl)azanium;methyl sulfate
CID 22035523
2-[dimethyl(octadecyl)azaniumyl]ethanesulfonate
CID 15047029
didecyl(dimethyl)azanium;sulfuric acid
CID 174764452
bis(decyl-methyl-dioctylazanium);sulfate
CID 175748947
dimethyl(dioctadecyl)azanium;sulfuric acid
CID 87145734

Frequently Asked Questions

What is the IUPAC name of decyl-hexyl-dimethylazanium;hydron;sulfate?
The IUPAC name of decyl-hexyl-dimethylazanium;hydron;sulfate (CID 134207388) is decyl-hexyl-dimethylazanium;hydron;sulfate.
What is the SMILES notation for decyl-hexyl-dimethylazanium;hydron;sulfate?
The canonical SMILES for decyl-hexyl-dimethylazanium;hydron;sulfate is CCCCCCCCCC[N+](C)(C)CCCCCC.O=S(=O)([O-])[O-].[H+].
What is the InChIKey of decyl-hexyl-dimethylazanium;hydron;sulfate?
The InChIKey is UFLLCXBCGBXVDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40N.H2O4S/c1-5-7-9-11-12-13-14-16-18-19(3,4)17-15-10-8-6-2;1-5(2,3)4/h5-18H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of decyl-hexyl-dimethylazanium;hydron;sulfate?
decyl-hexyl-dimethylazanium;hydron;sulfate has a molecular weight of 367.60 g/mol, XLogP of 4.56, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-hexyl-dimethylazanium;hydron;sulfate is sourced from PubChem (CID 134207388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).