sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate

C17H35NaO6S — CID 118608280

IUPACsodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate
SMILESCCCCCCCCCCCC(C)OCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C17H36O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-17(2)22-15-13-21-14-16-23-24(18,19)20;/h17H,3-16H2,1-2H3,(H,18,19,20);/q;+1/p-1
InChIKeyFEXJALISLXYUTJ-UHFFFAOYSA-M
MW390.52 g/mol
LogP0.81
Rot. Bonds18

About sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate

sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate (PubChem CID 118608280) has the molecular formula C17H35NaO6S and a molecular weight of 390.52 g/mol. Its IUPAC name is sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate.

Molecular Properties

Compound Namesodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate
PubChem CID118608280
Molecular FormulaC17H35NaO6S
Molecular Weight390.52 g/mol
Exact Mass390.21
IUPAC Namesodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate
SMILESCCCCCCCCCCCC(C)OCCOCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C17H36O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-17(2)22-15-13-21-14-16-23-24(18,19)20;/h17H,3-16H2,1-2H3,(H,18,19,20);/q;+1/p-1
InChIKeyFEXJALISLXYUTJ-UHFFFAOYSA-M
XLogP0.81
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 50.81
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'}

Analyze sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-[2-[1-[1-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate
CID 132838718
sodium 2-[2-[1-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate
CID 102426084
sodium 2-[2-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethyl sulfate
CID 175684704
sodium 2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 175691415
2-tridecoxyethyl sulfate
CID 123176891
2-octoxyethyl sulfate
CID 59378503
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 171151962
azanium 2-octadecan-9-yloxyethyl sulfate
CID 118576701
sodium 4-methyldodecyl sulfate
CID 58340697
sodium 4-decoxybutyl sulfate
CID 23689434
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
3-methyldecyl sulfate
CID 24796516

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate?
The IUPAC name of sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate (CID 118608280) is sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate.
What is the SMILES notation for sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate?
The canonical SMILES for sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate is CCCCCCCCCCCC(C)OCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate?
The InChIKey is FEXJALISLXYUTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H36O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-17(2)22-15-13-21-14-16-23-24(18,19)20;/h17H,3-16H2,1-2H3,(H,18,19,20);/q;+1/p-1.
What are the key properties of sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate?
sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate has a molecular weight of 390.52 g/mol, XLogP of 0.81, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-tridecan-2-yloxyethoxy)ethyl sulfate is sourced from PubChem (CID 118608280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).