ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C18H42O10S — CID 87749418

IUPACethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C6H14O4S.C4H10O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2/h9-10H,1-8H2;2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3
InChIKeyGLIQXGSLAPCFRA-UHFFFAOYSA-N
MW450.59 g/mol
LogP1.45
Rot. Bonds18

About ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 87749418) has the molecular formula C18H42O10S and a molecular weight of 450.59 g/mol. Its IUPAC name is ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Nameethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID87749418
Molecular FormulaC18H42O10S
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Nameethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C6H14O4S.C4H10O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2/h9-10H,1-8H2;2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3
InChIKeyGLIQXGSLAPCFRA-UHFFFAOYSA-N
XLogP1.45
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dodecyl hydrogen sulfate;ethane-1,2-diol;ethoxyethane
CID 88692322
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151121
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151116
ethane-1,2-diol;ethene;ethoxyethane;hexyl hydrogen sulfate
CID 173151171
dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 88766044
ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
CID 87747917
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
CID 173357441
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14151438
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21351862
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 11274827

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 87749418) is ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is CCCCCCOS(=O)(=O)O.CCOCC.OCCOCCOCCOCCO.
What is the InChIKey of ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is GLIQXGSLAPCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.C6H14O4S.C4H10O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2/h9-10H,1-8H2;2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3.
What are the key properties of ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 450.59 g/mol, XLogP of 1.45, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87749418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).