LiOH H2O dioxane

C₄H₁₁LiO₄ — CID 131723821

About LiOH H2O dioxane

LiOH H2O dioxane (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 Name: LiOH H2O dioxane
• PubChem CID: 131723821
• Molecular Formula: C₄H₁₁LiO₄
• Molecular Weight: 130.07 g/mol
• Exact Mass: 130.08
• IUPAC Name: lithium;1,4-dioxane;hydroxide;hydrate
• SMILES: C1COCCO1.O.[Li+].[OH-]
• InChI: InChI=1S/C4H8O2.Li.2H2O/c1-2-6-4-3-5-1;;;/h1-4H2;;2*1H2/q;+1;;/p-1
• InChIKey: LHBAFODUBVUFJA-UHFFFAOYSA-M
• XLogP: -3.96
• TPSA: 79.96 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	130.07
LogP ≤ 5	-3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of LiOH H2O dioxane?

The IUPAC name of LiOH H2O dioxane (CID 131723821) is lithium;1,4-dioxane;hydroxide;hydrate.

What is the SMILES notation for LiOH H2O dioxane?

The canonical SMILES for LiOH H2O dioxane is C1COCCO1.O.[Li+].[OH-].

What is the InChIKey of LiOH H2O dioxane?

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 LiOH H2O dioxane?

LiOH H2O dioxane 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 LiOH H2O dioxane is sourced from PubChem (CID 131723821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131723821 — identifiers, structure, computed properties (public domain)

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