sodium;ethyl acetate;hydroxide;hydrate

C4H11NaO4 — CID 174492243

IUPACsodium;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.[Na+].[OH-]
InChIInChI=1S/C4H8O2.Na.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyBADWKALHKWUILT-UHFFFAOYSA-M
MW146.12 g/mol
LogP-3.43
Rot. Bonds1

About sodium;ethyl acetate;hydroxide;hydrate

sodium;ethyl acetate;hydroxide;hydrate (PubChem CID 174492243) has the molecular formula C4H11NaO4 and a molecular weight of 146.12 g/mol. Its IUPAC name is sodium;ethyl acetate;hydroxide;hydrate.

Molecular Properties

Compound Namesodium;ethyl acetate;hydroxide;hydrate
PubChem CID174492243
Molecular FormulaC4H11NaO4
Molecular Weight146.12 g/mol
Exact Mass146.06
IUPAC Namesodium;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.[Na+].[OH-]
InChIInChI=1S/C4H8O2.Na.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyBADWKALHKWUILT-UHFFFAOYSA-M
XLogP-3.43
TPSA87.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium;ethyl acetate;hydroxide;hydrate 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

lithium;ethyl acetate;hydroxide;hydrate
CID 174848728
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;nickel;pentahydrate
CID 175168185
magnesium;ethyl acetate;dihydroxide
CID 174721509
sodium;ethyl acetate;iodide
CID 175319293
ethyl acetate;methanol;hydrate
CID 87229017
ethanol;ethyl acetate;hydrate
CID 86601158

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl acetate;hydroxide;hydrate?
The IUPAC name of sodium;ethyl acetate;hydroxide;hydrate (CID 174492243) is sodium;ethyl acetate;hydroxide;hydrate.
What is the SMILES notation for sodium;ethyl acetate;hydroxide;hydrate?
The canonical SMILES for sodium;ethyl acetate;hydroxide;hydrate is CCOC(C)=O.O.[Na+].[OH-].
What is the InChIKey of sodium;ethyl acetate;hydroxide;hydrate?
The InChIKey is BADWKALHKWUILT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.Na.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1.
What are the key properties of sodium;ethyl acetate;hydroxide;hydrate?
sodium;ethyl acetate;hydroxide;hydrate has a molecular weight of 146.12 g/mol, XLogP of -3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl acetate;hydroxide;hydrate is sourced from PubChem (CID 174492243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).