sodium;ethoxyethane;hexyl sulfate

C10H23NaO5S — CID 88708735

IUPACsodium;ethoxyethane;hexyl sulfate
SMILESCCCCCCOS(=O)(=O)[O-].CCOCC.[Na+]
InChIInChI=1S/C6H14O4S.C4H10O.Na/c1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2;/h2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3;/q;;+1/p-1
InChIKeyAEEAFHFSWOYNQA-UHFFFAOYSA-M
MW278.35 g/mol
LogP-0.91
Rot. Bonds8

About sodium;ethoxyethane;hexyl sulfate

sodium;ethoxyethane;hexyl sulfate (PubChem CID 88708735) has the molecular formula C10H23NaO5S and a molecular weight of 278.35 g/mol. Its IUPAC name is sodium;ethoxyethane;hexyl sulfate.

Molecular Properties

Compound Namesodium;ethoxyethane;hexyl sulfate
PubChem CID88708735
Molecular FormulaC10H23NaO5S
Molecular Weight278.35 g/mol
Exact Mass278.12
IUPAC Namesodium;ethoxyethane;hexyl sulfate
SMILESCCCCCCOS(=O)(=O)[O-].CCOCC.[Na+]
InChIInChI=1S/C6H14O4S.C4H10O.Na/c1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2;/h2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3;/q;;+1/p-1
InChIKeyAEEAFHFSWOYNQA-UHFFFAOYSA-M
XLogP-0.91
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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;ethoxyethane;hexyl 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 tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
sodium 4-decoxybutyl sulfate
CID 23689434
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
copper(1+);dodecyl sulfate
CID 174360133
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;hexyl sulfate?
The IUPAC name of sodium;ethoxyethane;hexyl sulfate (CID 88708735) is sodium;ethoxyethane;hexyl sulfate.
What is the SMILES notation for sodium;ethoxyethane;hexyl sulfate?
The canonical SMILES for sodium;ethoxyethane;hexyl sulfate is CCCCCCOS(=O)(=O)[O-].CCOCC.[Na+].
What is the InChIKey of sodium;ethoxyethane;hexyl sulfate?
The InChIKey is AEEAFHFSWOYNQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O4S.C4H10O.Na/c1-2-3-4-5-6-10-11(7,8)9;1-3-5-4-2;/h2-6H2,1H3,(H,7,8,9);3-4H2,1-2H3;/q;;+1/p-1.
What are the key properties of sodium;ethoxyethane;hexyl sulfate?
sodium;ethoxyethane;hexyl sulfate has a molecular weight of 278.35 g/mol, XLogP of -0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;hexyl sulfate is sourced from PubChem (CID 88708735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).