didecyl(dimethyl)azanium;sulfuric acid

C22H52NO8S2+ — CID 174764452

IUPACdidecyl(dimethyl)azanium;sulfuric acid
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C22H48N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;2*1-5(2,3)4/h5-22H2,1-4H3;2*(H2,1,2,3,4)/q+1;;
InChIKeyOLCSLPCOFFGSSD-UHFFFAOYSA-N
MW522.79 g/mol
LogP6.04
Rot. Bonds18

About didecyl(dimethyl)azanium;sulfuric acid

didecyl(dimethyl)azanium;sulfuric acid (PubChem CID 174764452) has the molecular formula C22H52NO8S2+ and a molecular weight of 522.79 g/mol. Its IUPAC name is didecyl(dimethyl)azanium;sulfuric acid.

Molecular Properties

Compound Namedidecyl(dimethyl)azanium;sulfuric acid
PubChem CID174764452
Molecular FormulaC22H52NO8S2+
Molecular Weight522.79 g/mol
Exact Mass522.31
IUPAC Namedidecyl(dimethyl)azanium;sulfuric acid
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C22H48N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;2*1-5(2,3)4/h5-22H2,1-4H3;2*(H2,1,2,3,4)/q+1;;
InChIKeyOLCSLPCOFFGSSD-UHFFFAOYSA-N
XLogP6.04
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.79
LogP ≤ 56.04
H-Bond Donors ≤ 54
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'}

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Related Compounds

dimethyl(dioctadecyl)azanium;sulfuric acid
CID 87145734
dimethyl(dioctadecyl)azanium;methanesulfonic acid
CID 18186056
azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid
CID 174851908
didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
butyl-dimethyl-octylazanium;hydrogen sulfate
CID 122481748
12-[dimethyl(3-sulfopropyl)azaniumyl]dodecyl-dodecyl-dimethylazanium
CID 15497410
8-[dimethyl(3-sulfopropyl)azaniumyl]octyl-dodecyl-dimethylazanium
CID 11753426
didecyl(dimethyl)azanium sulfate
CID 21195390
lithium;dimethyl(dioctadecyl)azanium;hydride
CID 174571787
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of didecyl(dimethyl)azanium;sulfuric acid?
The IUPAC name of didecyl(dimethyl)azanium;sulfuric acid (CID 174764452) is didecyl(dimethyl)azanium;sulfuric acid.
What is the SMILES notation for didecyl(dimethyl)azanium;sulfuric acid?
The canonical SMILES for didecyl(dimethyl)azanium;sulfuric acid is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of didecyl(dimethyl)azanium;sulfuric acid?
The InChIKey is OLCSLPCOFFGSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;2*1-5(2,3)4/h5-22H2,1-4H3;2*(H2,1,2,3,4)/q+1;;.
What are the key properties of didecyl(dimethyl)azanium;sulfuric acid?
didecyl(dimethyl)azanium;sulfuric acid has a molecular weight of 522.79 g/mol, XLogP of 6.04, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl(dimethyl)azanium;sulfuric acid is sourced from PubChem (CID 174764452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).