magnesium methoxycarbonyl methyl carbonate

C4H6MgO5+2 — CID 21124585

IUPACmagnesium methoxycarbonyl methyl carbonate
SMILESCOC(=O)OC(=O)OC.[Mg+2]
InChIInChI=1S/C4H6O5.Mg/c1-7-3(5)9-4(6)8-2;/h1-2H3;/q;+2
InChIKeyTUVYZCZBDGHPMX-UHFFFAOYSA-N
MW158.39 g/mol
LogP0.16
Rot. Bonds

About magnesium methoxycarbonyl methyl carbonate

magnesium methoxycarbonyl methyl carbonate (PubChem CID 21124585) has the molecular formula C4H6MgO5+2 and a molecular weight of 158.39 g/mol. Its IUPAC name is magnesium methoxycarbonyl methyl carbonate.

Molecular Properties

Compound Namemagnesium methoxycarbonyl methyl carbonate
PubChem CID21124585
Molecular FormulaC4H6MgO5+2
Molecular Weight158.39 g/mol
Exact Mass158.01
IUPAC Namemagnesium methoxycarbonyl methyl carbonate
SMILESCOC(=O)OC(=O)OC.[Mg+2]
InChIInChI=1S/C4H6O5.Mg/c1-7-3(5)9-4(6)8-2;/h1-2H3;/q;+2
InChIKeyTUVYZCZBDGHPMX-UHFFFAOYSA-N
XLogP0.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.39
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze magnesium methoxycarbonyl 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 methoxycarbonyl methyl carbonate?
The IUPAC name of magnesium methoxycarbonyl methyl carbonate (CID 21124585) is magnesium methoxycarbonyl methyl carbonate.
What is the SMILES notation for magnesium methoxycarbonyl methyl carbonate?
The canonical SMILES for magnesium methoxycarbonyl methyl carbonate is COC(=O)OC(=O)OC.[Mg+2].
What is the InChIKey of magnesium methoxycarbonyl methyl carbonate?
The InChIKey is TUVYZCZBDGHPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.Mg/c1-7-3(5)9-4(6)8-2;/h1-2H3;/q;+2.
What are the key properties of magnesium methoxycarbonyl methyl carbonate?
magnesium methoxycarbonyl methyl carbonate has a molecular weight of 158.39 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methoxycarbonyl methyl carbonate is sourced from PubChem (CID 21124585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).