sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate

C18H37NaO7S — CID 23674622

IUPACsodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H38O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeySXHLENDCVBIJFO-UHFFFAOYSA-M
MW420.54 g/mol
LogP0.44
Rot. Bonds21

About sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate

sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate (PubChem CID 23674622) has the molecular formula C18H37NaO7S and a molecular weight of 420.54 g/mol. Its IUPAC name is sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate.

Molecular Properties

Compound Namesodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate
PubChem CID23674622
Molecular FormulaC18H37NaO7S
Molecular Weight420.54 g/mol
Exact Mass420.22
IUPAC Namesodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate
SMILESCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H38O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeySXHLENDCVBIJFO-UHFFFAOYSA-M
XLogP0.44
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.44
H-Bond Donors ≤ 50
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

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
Ammonium Laureth Sulfate
CID 61913
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204
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-(2-dodecoxyethoxy)ethoxy]ethyl sulfate?
The IUPAC name of sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate (CID 23674622) is sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate.
What is the SMILES notation for sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate?
The canonical SMILES for sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate is CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate?
The InChIKey is SXHLENDCVBIJFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate?
sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate has a molecular weight of 420.54 g/mol, XLogP of 0.44, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl sulfate is sourced from PubChem (CID 23674622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).