magnesium methyl carbonate

C4H6MgO6 — CID 118856751

IUPACmagnesium methyl carbonate
SMILESCOC(=O)[O-].COC(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H4O3.Mg/c2*1-5-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKeyCHKVEDLTACTUAS-UHFFFAOYSA-L
MW174.39 g/mol
LogP-2.43
Rot. Bonds

About magnesium methyl carbonate

magnesium methyl carbonate (PubChem CID 118856751) has the molecular formula C4H6MgO6 and a molecular weight of 174.39 g/mol. Its IUPAC name is magnesium methyl carbonate.

Molecular Properties

Compound Namemagnesium methyl carbonate
PubChem CID118856751
Molecular FormulaC4H6MgO6
Molecular Weight174.39 g/mol
Exact Mass174.00
IUPAC Namemagnesium methyl carbonate
SMILESCOC(=O)[O-].COC(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H4O3.Mg/c2*1-5-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKeyCHKVEDLTACTUAS-UHFFFAOYSA-L
XLogP-2.43
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.39
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze magnesium methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium methyl carbonate?
The IUPAC name of magnesium methyl carbonate (CID 118856751) is magnesium methyl carbonate.
What is the SMILES notation for magnesium methyl carbonate?
The canonical SMILES for magnesium methyl carbonate is COC(=O)[O-].COC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium methyl carbonate?
The InChIKey is CHKVEDLTACTUAS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O3.Mg/c2*1-5-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of magnesium methyl carbonate?
magnesium methyl carbonate has a molecular weight of 174.39 g/mol, XLogP of -2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methyl carbonate is sourced from PubChem (CID 118856751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).