sodium;ethoxyethane;ethoxy sulfate

C6H15NaO6S — CID 88747488

IUPACsodium;ethoxyethane;ethoxy sulfate
SMILESCCOCC.CCOOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H10O.C2H6O5S.Na/c1-3-5-4-2;1-2-6-7-8(3,4)5;/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);/q;;+1/p-1
InChIKeyLLNFETYYAKDEEF-UHFFFAOYSA-M
MW238.24 g/mol
LogP-2.54
Rot. Bonds5

About sodium;ethoxyethane;ethoxy sulfate

sodium;ethoxyethane;ethoxy sulfate (PubChem CID 88747488) has the molecular formula C6H15NaO6S and a molecular weight of 238.24 g/mol. Its IUPAC name is sodium;ethoxyethane;ethoxy sulfate.

Molecular Properties

Compound Namesodium;ethoxyethane;ethoxy sulfate
PubChem CID88747488
Molecular FormulaC6H15NaO6S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Namesodium;ethoxyethane;ethoxy sulfate
SMILESCCOCC.CCOOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H10O.C2H6O5S.Na/c1-3-5-4-2;1-2-6-7-8(3,4)5;/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);/q;;+1/p-1
InChIKeyLLNFETYYAKDEEF-UHFFFAOYSA-M
XLogP-2.54
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

disodium;ethoxyethane;sulfate
CID 158792070
ethoxyethane;2-sulfonatooxyethoxy sulfate
CID 23374858
dialuminum;ethoxyethane;trisulfate
CID 174817386
ethoxy ethanesulfonate
CID 87989900
disodium;ethoxyethane
CID 23107014
sodium;ethoxyethane;hexyl sulfate
CID 88708735
ethoxyethane;silylsulfonylsilane
CID 173255647
sodium prop-2-enoxy sulfate
CID 138633937
disodium;azane;sulfonatooxy sulfate
CID 174725660
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
lithium;ethoxyethane;chloride
CID 175344978
ethoxyethane;titanium;trihydrochloride
CID 173160344

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;ethoxy sulfate?
The IUPAC name of sodium;ethoxyethane;ethoxy sulfate (CID 88747488) is sodium;ethoxyethane;ethoxy sulfate.
What is the SMILES notation for sodium;ethoxyethane;ethoxy sulfate?
The canonical SMILES for sodium;ethoxyethane;ethoxy sulfate is CCOCC.CCOOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;ethoxyethane;ethoxy sulfate?
The InChIKey is LLNFETYYAKDEEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O.C2H6O5S.Na/c1-3-5-4-2;1-2-6-7-8(3,4)5;/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;ethoxyethane;ethoxy sulfate?
sodium;ethoxyethane;ethoxy sulfate has a molecular weight of 238.24 g/mol, XLogP of -2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;ethoxy sulfate is sourced from PubChem (CID 88747488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).