trimagnesium;methanolate;dicarbonate

C4H6Mg3O8 — CID 173321815

IUPACtrimagnesium;methanolate;dicarbonate
SMILESC[O-].C[O-].O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2CH2O3.2CH3O.3Mg/c2*2-1(3)4;2*1-2;;;/h2*(H2,2,3,4);2*1H3;;;/q;;2*-1;3*+2/p-4
InChIKeyMODCNGLEARRNDN-UHFFFAOYSA-J
MW255.00 g/mol
LogP-8.08
Rot. Bonds

About trimagnesium;methanolate;dicarbonate

trimagnesium;methanolate;dicarbonate (PubChem CID 173321815) has the molecular formula C4H6Mg3O8 and a molecular weight of 255.00 g/mol. Its IUPAC name is trimagnesium;methanolate;dicarbonate.

Molecular Properties

Compound Nametrimagnesium;methanolate;dicarbonate
PubChem CID173321815
Molecular FormulaC4H6Mg3O8
Molecular Weight255.00 g/mol
Exact Mass253.96
IUPAC Nametrimagnesium;methanolate;dicarbonate
SMILESC[O-].C[O-].O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2CH2O3.2CH3O.3Mg/c2*2-1(3)4;2*1-2;;;/h2*(H2,2,3,4);2*1H3;;;/q;;2*-1;3*+2/p-4
InChIKeyMODCNGLEARRNDN-UHFFFAOYSA-J
XLogP-8.08
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 5-8.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;methanolate;dicarbonate?
The IUPAC name of trimagnesium;methanolate;dicarbonate (CID 173321815) is trimagnesium;methanolate;dicarbonate.
What is the SMILES notation for trimagnesium;methanolate;dicarbonate?
The canonical SMILES for trimagnesium;methanolate;dicarbonate is C[O-].C[O-].O=C([O-])[O-].O=C([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;methanolate;dicarbonate?
The InChIKey is MODCNGLEARRNDN-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.2CH3O.3Mg/c2*2-1(3)4;2*1-2;;;/h2*(H2,2,3,4);2*1H3;;;/q;;2*-1;3*+2/p-4.
What are the key properties of trimagnesium;methanolate;dicarbonate?
trimagnesium;methanolate;dicarbonate has a molecular weight of 255.00 g/mol, XLogP of -8.08, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;methanolate;dicarbonate is sourced from PubChem (CID 173321815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).