sodium 2-(2-ethoxyethoxy)ethanolate

C6H13NaO3 — CID 23709816

IUPACsodium 2-(2-ethoxyethoxy)ethanolate
SMILESCCOCCOCC[O-].[Na+]
InChIInChI=1S/C6H13O3.Na/c1-2-8-5-6-9-4-3-7;/h2-6H2,1H3;/q-1;+1
InChIKeyWVEHLLOGTUPCQG-UHFFFAOYSA-N
MW156.16 g/mol
LogP-3.60
Rot. Bonds6

About sodium 2-(2-ethoxyethoxy)ethanolate

sodium 2-(2-ethoxyethoxy)ethanolate (PubChem CID 23709816) has the molecular formula C6H13NaO3 and a molecular weight of 156.16 g/mol. Its IUPAC name is sodium 2-(2-ethoxyethoxy)ethanolate.

Molecular Properties

Compound Namesodium 2-(2-ethoxyethoxy)ethanolate
PubChem CID23709816
Molecular FormulaC6H13NaO3
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Namesodium 2-(2-ethoxyethoxy)ethanolate
SMILESCCOCCOCC[O-].[Na+]
InChIInChI=1S/C6H13O3.Na/c1-2-8-5-6-9-4-3-7;/h2-6H2,1H3;/q-1;+1
InChIKeyWVEHLLOGTUPCQG-UHFFFAOYSA-N
XLogP-3.60
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-3.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium 2-(2-ethoxyethoxy)ethanolate 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

potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
2-ethoxyethanolate
CID 22392618
bis(2-ethoxyethanolate);iron(2+)
CID 160755483
bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)
CID 173418844
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
sodium;1,2-diethoxyethane;hydride
CID 174903036
1,2-diethoxyethane;hydrofluoride
CID 175535770
1,2-diethoxyethane;ethene
CID 158825770
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
barium(2+);bis(2-butoxyethanolate)
CID 19598526
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-ethoxyethoxy)ethanolate?
The IUPAC name of sodium 2-(2-ethoxyethoxy)ethanolate (CID 23709816) is sodium 2-(2-ethoxyethoxy)ethanolate.
What is the SMILES notation for sodium 2-(2-ethoxyethoxy)ethanolate?
The canonical SMILES for sodium 2-(2-ethoxyethoxy)ethanolate is CCOCCOCC[O-].[Na+].
What is the InChIKey of sodium 2-(2-ethoxyethoxy)ethanolate?
The InChIKey is WVEHLLOGTUPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3.Na/c1-2-8-5-6-9-4-3-7;/h2-6H2,1H3;/q-1;+1.
What are the key properties of sodium 2-(2-ethoxyethoxy)ethanolate?
sodium 2-(2-ethoxyethoxy)ethanolate has a molecular weight of 156.16 g/mol, XLogP of -3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-ethoxyethoxy)ethanolate is sourced from PubChem (CID 23709816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).