magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate

C9H18MgO6 — CID 71300816

IUPACmagnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)[O-].CCOCC[O-].[Mg+2]
InChIInChI=1S/C5H10O4.C4H9O2.Mg/c1-2-8-3-4-9-5(6)7;1-2-6-4-3-5;/h2-4H2,1H3,(H,6,7);2-4H2,1H3;/q;-1;+2/p-1
InChIKeyQBUOURKOSAMPGL-UHFFFAOYSA-M
MW246.54 g/mol
LogP-1.61
Rot. Bonds7

About magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate

magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate (PubChem CID 71300816) has the molecular formula C9H18MgO6 and a molecular weight of 246.54 g/mol. Its IUPAC name is magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate.

Molecular Properties

Compound Namemagnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate
PubChem CID71300816
Molecular FormulaC9H18MgO6
Molecular Weight246.54 g/mol
Exact Mass246.10
IUPAC Namemagnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)[O-].CCOCC[O-].[Mg+2]
InChIInChI=1S/C5H10O4.C4H9O2.Mg/c1-2-8-3-4-9-5(6)7;1-2-6-4-3-5;/h2-4H2,1H3,(H,6,7);2-4H2,1H3;/q;-1;+2/p-1
InChIKeyQBUOURKOSAMPGL-UHFFFAOYSA-M
XLogP-1.61
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.54
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze magnesium;2-ethoxyethanolate;2-ethoxyethyl 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;2-ethoxyethanolate;2-ethoxyethyl carbonate?
The IUPAC name of magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate (CID 71300816) is magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate.
What is the SMILES notation for magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate?
The canonical SMILES for magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate is CCOCCOC(=O)[O-].CCOCC[O-].[Mg+2].
What is the InChIKey of magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate?
The InChIKey is QBUOURKOSAMPGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O4.C4H9O2.Mg/c1-2-8-3-4-9-5(6)7;1-2-6-4-3-5;/h2-4H2,1H3,(H,6,7);2-4H2,1H3;/q;-1;+2/p-1.
What are the key properties of magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate?
magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate has a molecular weight of 246.54 g/mol, XLogP of -1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-ethoxyethanolate;2-ethoxyethyl carbonate is sourced from PubChem (CID 71300816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).