azanium;ethanol;tetradecyl sulfate

C20H51NO7S — CID 158184471

IUPACazanium;ethanol;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+]
InChIInChI=1S/C14H30O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3*1-2-3;/h2-14H2,1H3,(H,15,16,17);3*3H,2H2,1H3;1H3
InChIKeyDAGHXEJHXFXUEA-UHFFFAOYSA-N
MW449.70 g/mol
LogP4.54
Rot. Bonds14

About azanium;ethanol;tetradecyl sulfate

azanium;ethanol;tetradecyl sulfate (PubChem CID 158184471) has the molecular formula C20H51NO7S and a molecular weight of 449.70 g/mol. Its IUPAC name is azanium;ethanol;tetradecyl sulfate.

Molecular Properties

Compound Nameazanium;ethanol;tetradecyl sulfate
PubChem CID158184471
Molecular FormulaC20H51NO7S
Molecular Weight449.70 g/mol
Exact Mass449.34
IUPAC Nameazanium;ethanol;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+]
InChIInChI=1S/C14H30O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3*1-2-3;/h2-14H2,1H3,(H,15,16,17);3*3H,2H2,1H3;1H3
InChIKeyDAGHXEJHXFXUEA-UHFFFAOYSA-N
XLogP4.54
TPSA163.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.70
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

azanium;ethanol;octadecyl sulfate
CID 157483069
pentaazanium;dodecyl sulfate;ethanolate
CID 140995378
triazanium;dodecyl sulfate;ethanolate
CID 140986247
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
calcium nonyl sulfate
CID 101286747
sodium heptacosyl sulfate
CID 155090064
disodium bis(hexadecyl sulfate)
CID 10394875
copper(1+);dodecyl sulfate
CID 174360133
sodium hexyl sulfate
CID 23678858
potassium decyl sulfate
CID 23673657

Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;tetradecyl sulfate?
The IUPAC name of azanium;ethanol;tetradecyl sulfate (CID 158184471) is azanium;ethanol;tetradecyl sulfate.
What is the SMILES notation for azanium;ethanol;tetradecyl sulfate?
The canonical SMILES for azanium;ethanol;tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+].
What is the InChIKey of azanium;ethanol;tetradecyl sulfate?
The InChIKey is DAGHXEJHXFXUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3*1-2-3;/h2-14H2,1H3,(H,15,16,17);3*3H,2H2,1H3;1H3.
What are the key properties of azanium;ethanol;tetradecyl sulfate?
azanium;ethanol;tetradecyl sulfate has a molecular weight of 449.70 g/mol, XLogP of 4.54, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;tetradecyl sulfate is sourced from PubChem (CID 158184471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).