azanium;ethanol;octadecyl sulfate

C24H59NO7S — CID 157483069

IUPACazanium;ethanol;octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+]
InChIInChI=1S/C18H38O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3*1-2-3;/h2-18H2,1H3,(H,19,20,21);3*3H,2H2,1H3;1H3
InChIKeyBWJQQKXFTWEOKY-UHFFFAOYSA-N
MW505.80 g/mol
LogP6.10
Rot. Bonds18

About azanium;ethanol;octadecyl sulfate

azanium;ethanol;octadecyl sulfate (PubChem CID 157483069) has the molecular formula C24H59NO7S and a molecular weight of 505.80 g/mol. Its IUPAC name is azanium;ethanol;octadecyl sulfate.

Molecular Properties

Compound Nameazanium;ethanol;octadecyl sulfate
PubChem CID157483069
Molecular FormulaC24H59NO7S
Molecular Weight505.80 g/mol
Exact Mass505.40
IUPAC Nameazanium;ethanol;octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+]
InChIInChI=1S/C18H38O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3*1-2-3;/h2-18H2,1H3,(H,19,20,21);3*3H,2H2,1H3;1H3
InChIKeyBWJQQKXFTWEOKY-UHFFFAOYSA-N
XLogP6.10
TPSA163.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.80
LogP ≤ 56.10
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;tetradecyl sulfate
CID 158184471
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;octadecyl sulfate?
The IUPAC name of azanium;ethanol;octadecyl sulfate (CID 157483069) is azanium;ethanol;octadecyl sulfate.
What is the SMILES notation for azanium;ethanol;octadecyl sulfate?
The canonical SMILES for azanium;ethanol;octadecyl sulfate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCO.CCO.CCO.[NH4+].
What is the InChIKey of azanium;ethanol;octadecyl sulfate?
The InChIKey is BWJQQKXFTWEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S.3C2H6O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3*1-2-3;/h2-18H2,1H3,(H,19,20,21);3*3H,2H2,1H3;1H3.
What are the key properties of azanium;ethanol;octadecyl sulfate?
azanium;ethanol;octadecyl sulfate has a molecular weight of 505.80 g/mol, XLogP of 6.10, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;octadecyl sulfate is sourced from PubChem (CID 157483069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).