dimagnesium;tetraacetate;hydrate

C8H14Mg2O9 — CID 139682585

IUPACdimagnesium;tetraacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Mg+2].[Mg+2]
InChIInChI=1S/4C2H4O2.2Mg.H2O/c4*1-2(3)4;;;/h4*1H3,(H,3,4);;;1H2/q;;;;2*+2;/p-4
InChIKeyXDTBKKJOFICRIF-UHFFFAOYSA-J
MW302.80 g/mol
LogP-6.56
Rot. Bonds

About dimagnesium;tetraacetate;hydrate

dimagnesium;tetraacetate;hydrate (PubChem CID 139682585) has the molecular formula C8H14Mg2O9 and a molecular weight of 302.80 g/mol. Its IUPAC name is dimagnesium;tetraacetate;hydrate.

Molecular Properties

Compound Namedimagnesium;tetraacetate;hydrate
PubChem CID139682585
Molecular FormulaC8H14Mg2O9
Molecular Weight302.80 g/mol
Exact Mass302.03
IUPAC Namedimagnesium;tetraacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Mg+2].[Mg+2]
InChIInChI=1S/4C2H4O2.2Mg.H2O/c4*1-2(3)4;;;/h4*1H3,(H,3,4);;;1H2/q;;;;2*+2;/p-4
InChIKeyXDTBKKJOFICRIF-UHFFFAOYSA-J
XLogP-6.56
TPSA192.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 5-6.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

cerium(3+);acetate;hexahydrate
CID 23158452
vanadium;triacetate;hydrate
CID 102418603
yttrium(3+);triacetate;hydrate
CID 57376990
praseodymium(3+);triacetate;trihydrate
CID 172733090
sodium;acetate;trihydrate
CID 23665404
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
magnesium;methanolate;acetate
CID 140982127
cobalt(2+);acetate;hexahydrate
CID 21479533

Frequently Asked Questions

What is the IUPAC name of dimagnesium;tetraacetate;hydrate?
The IUPAC name of dimagnesium;tetraacetate;hydrate (CID 139682585) is dimagnesium;tetraacetate;hydrate.
What is the SMILES notation for dimagnesium;tetraacetate;hydrate?
The canonical SMILES for dimagnesium;tetraacetate;hydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;tetraacetate;hydrate?
The InChIKey is XDTBKKJOFICRIF-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.2Mg.H2O/c4*1-2(3)4;;;/h4*1H3,(H,3,4);;;1H2/q;;;;2*+2;/p-4.
What are the key properties of dimagnesium;tetraacetate;hydrate?
dimagnesium;tetraacetate;hydrate has a molecular weight of 302.80 g/mol, XLogP of -6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;tetraacetate;hydrate is sourced from PubChem (CID 139682585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).