magnesium methoxymethyl carbonate

C6H10MgO8 — CID 172553397

IUPACmagnesium methoxymethyl carbonate
SMILESCOCOC(=O)[O-].COCOC(=O)[O-].[Mg+2]
InChIInChI=1S/2C3H6O4.Mg/c2*1-6-2-7-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChIKeyYWWZHKFLCOTNQQ-UHFFFAOYSA-L
MW234.44 g/mol
LogP-2.48
Rot. Bonds4

About magnesium methoxymethyl carbonate

magnesium methoxymethyl carbonate (PubChem CID 172553397) has the molecular formula C6H10MgO8 and a molecular weight of 234.44 g/mol. Its IUPAC name is magnesium methoxymethyl carbonate.

Molecular Properties

Compound Namemagnesium methoxymethyl carbonate
PubChem CID172553397
Molecular FormulaC6H10MgO8
Molecular Weight234.44 g/mol
Exact Mass234.02
IUPAC Namemagnesium methoxymethyl carbonate
SMILESCOCOC(=O)[O-].COCOC(=O)[O-].[Mg+2]
InChIInChI=1S/2C3H6O4.Mg/c2*1-6-2-7-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChIKeyYWWZHKFLCOTNQQ-UHFFFAOYSA-L
XLogP-2.48
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium methoxymethyl carbonate?
The IUPAC name of magnesium methoxymethyl carbonate (CID 172553397) is magnesium methoxymethyl carbonate.
What is the SMILES notation for magnesium methoxymethyl carbonate?
The canonical SMILES for magnesium methoxymethyl carbonate is COCOC(=O)[O-].COCOC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium methoxymethyl carbonate?
The InChIKey is YWWZHKFLCOTNQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O4.Mg/c2*1-6-2-7-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2.
What are the key properties of magnesium methoxymethyl carbonate?
magnesium methoxymethyl carbonate has a molecular weight of 234.44 g/mol, XLogP of -2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methoxymethyl carbonate is sourced from PubChem (CID 172553397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).