dimagnesium;acetyl acetate;hydride;tetrahydrate

C4H18Mg2O7 — CID 174549676

IUPACdimagnesium;acetyl acetate;hydride;tetrahydrate
SMILESCC(=O)OC(C)=O.O.O.O.O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H6O3.2Mg.4H2O.4H/c1-3(5)7-4(2)6;;;;;;;;;;/h1-2H3;;;4*1H2;;;;/q;2*+2;;;;;4*-1
InChIKeyBYHQQKASSNKQIM-UHFFFAOYSA-N
MW226.79 g/mol
LogP-3.51
Rot. Bonds

About dimagnesium;acetyl acetate;hydride;tetrahydrate

dimagnesium;acetyl acetate;hydride;tetrahydrate (PubChem CID 174549676) has the molecular formula C4H18Mg2O7 and a molecular weight of 226.79 g/mol. Its IUPAC name is dimagnesium;acetyl acetate;hydride;tetrahydrate.

Molecular Properties

Compound Namedimagnesium;acetyl acetate;hydride;tetrahydrate
PubChem CID174549676
Molecular FormulaC4H18Mg2O7
Molecular Weight226.79 g/mol
Exact Mass226.08
IUPAC Namedimagnesium;acetyl acetate;hydride;tetrahydrate
SMILESCC(=O)OC(C)=O.O.O.O.O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C4H6O3.2Mg.4H2O.4H/c1-3(5)7-4(2)6;;;;;;;;;;/h1-2H3;;;4*1H2;;;;/q;2*+2;;;;;4*-1
InChIKeyBYHQQKASSNKQIM-UHFFFAOYSA-N
XLogP-3.51
TPSA169.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.79
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl acetate;carbanide;gold
CID 87857087
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
acetyl acetate;bis(trifluoroborane)
CID 87483459
acetyl acetate;1,2-dichloroethane
CID 161071038
disodium;carboxy acetate;hydride
CID 173364721
prop-1-en-2-yl acetate;hydrate
CID 175309612

Frequently Asked Questions

What is the IUPAC name of dimagnesium;acetyl acetate;hydride;tetrahydrate?
The IUPAC name of dimagnesium;acetyl acetate;hydride;tetrahydrate (CID 174549676) is dimagnesium;acetyl acetate;hydride;tetrahydrate.
What is the SMILES notation for dimagnesium;acetyl acetate;hydride;tetrahydrate?
The canonical SMILES for dimagnesium;acetyl acetate;hydride;tetrahydrate is CC(=O)OC(C)=O.O.O.O.O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;acetyl acetate;hydride;tetrahydrate?
The InChIKey is BYHQQKASSNKQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.2Mg.4H2O.4H/c1-3(5)7-4(2)6;;;;;;;;;;/h1-2H3;;;4*1H2;;;;/q;2*+2;;;;;4*-1.
What are the key properties of dimagnesium;acetyl acetate;hydride;tetrahydrate?
dimagnesium;acetyl acetate;hydride;tetrahydrate has a molecular weight of 226.79 g/mol, XLogP of -3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;acetyl acetate;hydride;tetrahydrate is sourced from PubChem (CID 174549676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).