lithium;1,4-dioxane;hydroxide;hydrate

C4H11LiO4 — CID 131723821

IUPAClithium;1,4-dioxane;hydroxide;hydrate
SMILESC1COCCO1.O.[Li+].[OH-]
InChIInChI=1S/C4H8O2.Li.2H2O/c1-2-6-4-3-5-1;;;/h1-4H2;;2*1H2/q;+1;;/p-1
InChIKeyLHBAFODUBVUFJA-UHFFFAOYSA-M
MW130.07 g/mol
LogP-3.96
Rot. Bonds

About lithium;1,4-dioxane;hydroxide;hydrate

lithium;1,4-dioxane;hydroxide;hydrate (PubChem CID 131723821) has the molecular formula C4H11LiO4 and a molecular weight of 130.07 g/mol. Its IUPAC name is lithium;1,4-dioxane;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;1,4-dioxane;hydroxide;hydrate
PubChem CID131723821
Molecular FormulaC4H11LiO4
Molecular Weight130.07 g/mol
Exact Mass130.08
IUPAC Namelithium;1,4-dioxane;hydroxide;hydrate
SMILESC1COCCO1.O.[Li+].[OH-]
InChIInChI=1S/C4H8O2.Li.2H2O/c1-2-6-4-3-5-1;;;/h1-4H2;;2*1H2/q;+1;;/p-1
InChIKeyLHBAFODUBVUFJA-UHFFFAOYSA-M
XLogP-3.96
TPSA79.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.07
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium;1,4-dioxane;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

potassium;1,4-dioxane;hydroxide
CID 70357034
dilithium;hydride;1,4,7,10,13-pentaoxacyclopentadecane
CID 173287985
1,4-dioxane
CID 161483686
magnesium;1,4-dioxane;hydride;hydrate
CID 174364272
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
1,4-dioxane;silver
CID 157261770
lithium;1,4,7,10-tetraoxacyclododecane;thiocyanate
CID 23716349
cyclobutane;1,4-dioxane
CID 160886837
dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate
CID 139078681
neon;oxirane
CID 175793141
methane;oxirane
CID 21257745

Frequently Asked Questions

What is the IUPAC name of lithium;1,4-dioxane;hydroxide;hydrate?
The IUPAC name of lithium;1,4-dioxane;hydroxide;hydrate (CID 131723821) is lithium;1,4-dioxane;hydroxide;hydrate.
What is the SMILES notation for lithium;1,4-dioxane;hydroxide;hydrate?
The canonical SMILES for lithium;1,4-dioxane;hydroxide;hydrate is C1COCCO1.O.[Li+].[OH-].
What is the InChIKey of lithium;1,4-dioxane;hydroxide;hydrate?
The InChIKey is LHBAFODUBVUFJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.Li.2H2O/c1-2-6-4-3-5-1;;;/h1-4H2;;2*1H2/q;+1;;/p-1.
What are the key properties of lithium;1,4-dioxane;hydroxide;hydrate?
lithium;1,4-dioxane;hydroxide;hydrate has a molecular weight of 130.07 g/mol, XLogP of -3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,4-dioxane;hydroxide;hydrate is sourced from PubChem (CID 131723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).