sulfuric acid;tetrabutylazanium;hydroiodide

C16H39INO4S+ — CID 175178056

IUPACsulfuric acid;tetrabutylazanium;hydroiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.I.O=S(=O)(O)O
InChIInChI=1S/C16H36N.HI.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;1-5(2,3)4/h5-16H2,1-4H3;1H;(H2,1,2,3,4)/q+1;;
InChIKeyPOPPHKYGNUNDAK-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.97
Rot. Bonds12

About sulfuric acid;tetrabutylazanium;hydroiodide

sulfuric acid;tetrabutylazanium;hydroiodide (PubChem CID 175178056) has the molecular formula C16H39INO4S+ and a molecular weight of 468.46 g/mol. Its IUPAC name is sulfuric acid;tetrabutylazanium;hydroiodide.

Molecular Properties

Compound Namesulfuric acid;tetrabutylazanium;hydroiodide
PubChem CID175178056
Molecular FormulaC16H39INO4S+
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC Namesulfuric acid;tetrabutylazanium;hydroiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.I.O=S(=O)(O)O
InChIInChI=1S/C16H36N.HI.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;1-5(2,3)4/h5-16H2,1-4H3;1H;(H2,1,2,3,4)/q+1;;
InChIKeyPOPPHKYGNUNDAK-UHFFFAOYSA-N
XLogP4.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

hydrogen sulfate;tetrabutylazanium
CID 520578
sulfoazanide;tetrabutylazanium
CID 88740579
butyl(trihexadecyl)azanium;hydrogen sulfate
CID 140570198
ethanesulfonic acid;tetrahexylazanium
CID 87092635
sulfuric acid;tridecane
CID 91872702
tributyl(sulfomethyl)azanium bromide
CID 175342911
sodium;sulfuric acid;tetradecane
CID 170922474
tri(pentadecyl)-(3-sulfopropyl)azanium
CID 101285425
2-sulfoethyl-tri(tetracosyl)azanium
CID 101285404
tri(nonyl)-(2-sulfoethyl)azanium
CID 101285374
hydrogen sulfate;hydroxy sulfate;pentakis(tetrabutylazanium);sulfate
CID 11115952
potassium;hydroperoxy hydrogen sulfate;tetrabutylazanium
CID 173021966

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tetrabutylazanium;hydroiodide?
The IUPAC name of sulfuric acid;tetrabutylazanium;hydroiodide (CID 175178056) is sulfuric acid;tetrabutylazanium;hydroiodide.
What is the SMILES notation for sulfuric acid;tetrabutylazanium;hydroiodide?
The canonical SMILES for sulfuric acid;tetrabutylazanium;hydroiodide is CCCC[N+](CCCC)(CCCC)CCCC.I.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tetrabutylazanium;hydroiodide?
The InChIKey is POPPHKYGNUNDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.HI.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;1-5(2,3)4/h5-16H2,1-4H3;1H;(H2,1,2,3,4)/q+1;;.
What are the key properties of sulfuric acid;tetrabutylazanium;hydroiodide?
sulfuric acid;tetrabutylazanium;hydroiodide has a molecular weight of 468.46 g/mol, XLogP of 4.97, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tetrabutylazanium;hydroiodide is sourced from PubChem (CID 175178056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).