lithium;ethyl acetate;hydroxide;hydrate

C4H11LiO4 — CID 174848728

IUPAClithium;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.[Li+].[OH-]
InChIInChI=1S/C4H8O2.Li.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyZEQKISRHCGAYIE-UHFFFAOYSA-M
MW130.07 g/mol
LogP-3.43
Rot. Bonds1

About lithium;ethyl acetate;hydroxide;hydrate

lithium;ethyl acetate;hydroxide;hydrate (PubChem CID 174848728) has the molecular formula C4H11LiO4 and a molecular weight of 130.07 g/mol. Its IUPAC name is lithium;ethyl acetate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;ethyl acetate;hydroxide;hydrate
PubChem CID174848728
Molecular FormulaC4H11LiO4
Molecular Weight130.07 g/mol
Exact Mass130.08
IUPAC Namelithium;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.[Li+].[OH-]
InChIInChI=1S/C4H8O2.Li.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1
InChIKeyZEQKISRHCGAYIE-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 ≤ 500130.07
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium;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

sodium;ethyl acetate;hydroxide;hydrate
CID 174492243
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;nickel;pentahydrate
CID 175168185
magnesium;ethyl acetate;dihydroxide
CID 174721509
ethyl acetate;methanol;hydrate
CID 87229017
ethanol;ethyl acetate;hydrate
CID 86601158
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl acetate;hydroxide;hydrate?
The IUPAC name of lithium;ethyl acetate;hydroxide;hydrate (CID 174848728) is lithium;ethyl acetate;hydroxide;hydrate.
What is the SMILES notation for lithium;ethyl acetate;hydroxide;hydrate?
The canonical SMILES for lithium;ethyl acetate;hydroxide;hydrate is CCOC(C)=O.O.[Li+].[OH-].
What is the InChIKey of lithium;ethyl acetate;hydroxide;hydrate?
The InChIKey is ZEQKISRHCGAYIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.Li.2H2O/c1-3-6-4(2)5;;;/h3H2,1-2H3;;2*1H2/q;+1;;/p-1.
What are the key properties of lithium;ethyl acetate;hydroxide;hydrate?
lithium;ethyl acetate;hydroxide;hydrate has a molecular weight of 130.07 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 lithium;ethyl acetate;hydroxide;hydrate is sourced from PubChem (CID 174848728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).