magnesium;1,4-dioxane;hydride;hydrate

C4H12MgO3 — CID 174364272

IUPACmagnesium;1,4-dioxane;hydride;hydrate
SMILESC1COCCO1.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O2.Mg.H2O.2H/c1-2-6-4-3-5-1;;;;/h1-4H2;;1H2;;/q;+2;;2*-1
InChIKeyOIKFXNZQMVTELI-UHFFFAOYSA-N
MW132.44 g/mol
LogP-0.95
Rot. Bonds

About magnesium;1,4-dioxane;hydride;hydrate

magnesium;1,4-dioxane;hydride;hydrate (PubChem CID 174364272) has the molecular formula C4H12MgO3 and a molecular weight of 132.44 g/mol. Its IUPAC name is magnesium;1,4-dioxane;hydride;hydrate.

Molecular Properties

Compound Namemagnesium;1,4-dioxane;hydride;hydrate
PubChem CID174364272
Molecular FormulaC4H12MgO3
Molecular Weight132.44 g/mol
Exact Mass132.06
IUPAC Namemagnesium;1,4-dioxane;hydride;hydrate
SMILESC1COCCO1.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8O2.Mg.H2O.2H/c1-2-6-4-3-5-1;;;;/h1-4H2;;1H2;;/q;+2;;2*-1
InChIKeyOIKFXNZQMVTELI-UHFFFAOYSA-N
XLogP-0.95
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.44
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,4-dioxane;hydride;hydrate?
The IUPAC name of magnesium;1,4-dioxane;hydride;hydrate (CID 174364272) is magnesium;1,4-dioxane;hydride;hydrate.
What is the SMILES notation for magnesium;1,4-dioxane;hydride;hydrate?
The canonical SMILES for magnesium;1,4-dioxane;hydride;hydrate is C1COCCO1.O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1,4-dioxane;hydride;hydrate?
The InChIKey is OIKFXNZQMVTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Mg.H2O.2H/c1-2-6-4-3-5-1;;;;/h1-4H2;;1H2;;/q;+2;;2*-1.
What are the key properties of magnesium;1,4-dioxane;hydride;hydrate?
magnesium;1,4-dioxane;hydride;hydrate has a molecular weight of 132.44 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,4-dioxane;hydride;hydrate is sourced from PubChem (CID 174364272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).