sodium 2-(2-hydroxyethoxy)ethanolate

C4H9NaO3 — CID 23668373

IUPACsodium 2-(2-hydroxyethoxy)ethanolate
SMILES[Na+].[O-]CCOCCO
InChIInChI=1S/C4H9O3.Na/c5-1-3-7-4-2-6;/h5H,1-4H2;/q-1;+1
InChIKeyJWHVXJHRDCOZJO-UHFFFAOYSA-N
MW128.10 g/mol
LogP-4.64
Rot. Bonds4

About sodium 2-(2-hydroxyethoxy)ethanolate

sodium 2-(2-hydroxyethoxy)ethanolate (PubChem CID 23668373) has the molecular formula C4H9NaO3 and a molecular weight of 128.10 g/mol. Its IUPAC name is sodium 2-(2-hydroxyethoxy)ethanolate.

Molecular Properties

Compound Namesodium 2-(2-hydroxyethoxy)ethanolate
PubChem CID23668373
Molecular FormulaC4H9NaO3
Molecular Weight128.10 g/mol
Exact Mass128.04
IUPAC Namesodium 2-(2-hydroxyethoxy)ethanolate
SMILES[Na+].[O-]CCOCCO
InChIInChI=1S/C4H9O3.Na/c5-1-3-7-4-2-6;/h5H,1-4H2;/q-1;+1
InChIKeyJWHVXJHRDCOZJO-UHFFFAOYSA-N
XLogP-4.64
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-4.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane
CID 159788755
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
deuteriomethane;2-(2-hydroxyethoxy)ethanol
CID 86287438
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
CID 59229184

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-hydroxyethoxy)ethanolate?
The IUPAC name of sodium 2-(2-hydroxyethoxy)ethanolate (CID 23668373) is sodium 2-(2-hydroxyethoxy)ethanolate.
What is the SMILES notation for sodium 2-(2-hydroxyethoxy)ethanolate?
The canonical SMILES for sodium 2-(2-hydroxyethoxy)ethanolate is [Na+].[O-]CCOCCO.
What is the InChIKey of sodium 2-(2-hydroxyethoxy)ethanolate?
The InChIKey is JWHVXJHRDCOZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3.Na/c5-1-3-7-4-2-6;/h5H,1-4H2;/q-1;+1.
What are the key properties of sodium 2-(2-hydroxyethoxy)ethanolate?
sodium 2-(2-hydroxyethoxy)ethanolate has a molecular weight of 128.10 g/mol, XLogP of -4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hydroxyethoxy)ethanolate is sourced from PubChem (CID 23668373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).