sodium 2-(2-dodecoxyethoxy)ethyl sulfate

C16H33NaO6S — CID 23682204

IUPACsodium 2-(2-dodecoxyethoxy)ethyl sulfate
SMILESCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyGUQPDKHHVFLXHS-UHFFFAOYSA-M
MW376.49 g/mol
LogP0.42
Rot. Bonds18

About sodium 2-(2-dodecoxyethoxy)ethyl sulfate

sodium 2-(2-dodecoxyethoxy)ethyl sulfate (PubChem CID 23682204) has the molecular formula C16H33NaO6S and a molecular weight of 376.49 g/mol. Its IUPAC name is sodium 2-(2-dodecoxyethoxy)ethyl sulfate.

Molecular Properties

Compound Namesodium 2-(2-dodecoxyethoxy)ethyl sulfate
PubChem CID23682204
Molecular FormulaC16H33NaO6S
Molecular Weight376.49 g/mol
Exact Mass376.19
IUPAC Namesodium 2-(2-dodecoxyethoxy)ethyl sulfate
SMILESCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyGUQPDKHHVFLXHS-UHFFFAOYSA-M
XLogP0.42
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Sodium laureth sulfate
CID 23665884
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
CID 87490204
CID 87490204
CID 134813725
CID 134813725
2-Dodecoxyethyl hydrogen sulfate
CID 24761
Sodium Laureth-3 Sulfate
CID 23674622
Ammonium Laureth Sulfate
CID 61913
Sodium;azane;2-dodecoxyethyl sulfate
CID 155973928
Sodium Heptadecyl Sulfate
CID 23670849
Sodium Myreth Sulfate
CID 23682189
Magnesium laureth-3 sulfate
CID 44150971

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-dodecoxyethoxy)ethyl sulfate?
The IUPAC name of sodium 2-(2-dodecoxyethoxy)ethyl sulfate (CID 23682204) is sodium 2-(2-dodecoxyethoxy)ethyl sulfate.
What is the SMILES notation for sodium 2-(2-dodecoxyethoxy)ethyl sulfate?
The canonical SMILES for sodium 2-(2-dodecoxyethoxy)ethyl sulfate is CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-dodecoxyethoxy)ethyl sulfate?
The InChIKey is GUQPDKHHVFLXHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1.
What are the key properties of sodium 2-(2-dodecoxyethoxy)ethyl sulfate?
sodium 2-(2-dodecoxyethoxy)ethyl sulfate has a molecular weight of 376.49 g/mol, XLogP of 0.42, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-dodecoxyethoxy)ethyl sulfate is sourced from PubChem (CID 23682204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).