sodium 2-hydroxyethanolate

C2H5NaO2 — CID 23678159

IUPACsodium 2-hydroxyethanolate
SMILES[Na+].[O-]CCO
InChIInChI=1S/C2H5O2.Na/c3-1-2-4;/h3H,1-2H2;/q-1;+1
InChIKeyKEPTYGWAYFIRNU-UHFFFAOYSA-N
MW84.05 g/mol
LogP-4.66
Rot. Bonds1

About sodium 2-hydroxyethanolate

sodium 2-hydroxyethanolate (PubChem CID 23678159) has the molecular formula C2H5NaO2 and a molecular weight of 84.05 g/mol. Its IUPAC name is sodium 2-hydroxyethanolate.

Molecular Properties

Compound Namesodium 2-hydroxyethanolate
PubChem CID23678159
Molecular FormulaC2H5NaO2
Molecular Weight84.05 g/mol
Exact Mass84.02
IUPAC Namesodium 2-hydroxyethanolate
SMILES[Na+].[O-]CCO
InChIInChI=1S/C2H5O2.Na/c3-1-2-4;/h3H,1-2H2;/q-1;+1
InChIKeyKEPTYGWAYFIRNU-UHFFFAOYSA-N
XLogP-4.66
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.05
LogP ≤ 5-4.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxyethanolate?
The IUPAC name of sodium 2-hydroxyethanolate (CID 23678159) is sodium 2-hydroxyethanolate.
What is the SMILES notation for sodium 2-hydroxyethanolate?
The canonical SMILES for sodium 2-hydroxyethanolate is [Na+].[O-]CCO.
What is the InChIKey of sodium 2-hydroxyethanolate?
The InChIKey is KEPTYGWAYFIRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2.Na/c3-1-2-4;/h3H,1-2H2;/q-1;+1.
What are the key properties of sodium 2-hydroxyethanolate?
sodium 2-hydroxyethanolate has a molecular weight of 84.05 g/mol, XLogP of -4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxyethanolate is sourced from PubChem (CID 23678159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).