sodium 2-methoxyethanolate

C3H7NaO2 — CID 23673640

IUPACsodium 2-methoxyethanolate
SMILESCOCC[O-].[Na+]
InChIInChI=1S/C3H7O2.Na/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1
InChIKeyUIICPZFWHBJNIG-UHFFFAOYSA-N
MW98.08 g/mol
LogP-4.00
Rot. Bonds2

About sodium 2-methoxyethanolate

sodium 2-methoxyethanolate (PubChem CID 23673640) has the molecular formula C3H7NaO2 and a molecular weight of 98.08 g/mol. Its IUPAC name is sodium 2-methoxyethanolate.

Molecular Properties

Compound Namesodium 2-methoxyethanolate
PubChem CID23673640
Molecular FormulaC3H7NaO2
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Namesodium 2-methoxyethanolate
SMILESCOCC[O-].[Na+]
InChIInChI=1S/C3H7O2.Na/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1
InChIKeyUIICPZFWHBJNIG-UHFFFAOYSA-N
XLogP-4.00
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxyethanolate?
The IUPAC name of sodium 2-methoxyethanolate (CID 23673640) is sodium 2-methoxyethanolate.
What is the SMILES notation for sodium 2-methoxyethanolate?
The canonical SMILES for sodium 2-methoxyethanolate is COCC[O-].[Na+].
What is the InChIKey of sodium 2-methoxyethanolate?
The InChIKey is UIICPZFWHBJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Na/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1.
What are the key properties of sodium 2-methoxyethanolate?
sodium 2-methoxyethanolate has a molecular weight of 98.08 g/mol, XLogP of -4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxyethanolate is sourced from PubChem (CID 23673640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).