magnesium;ethoxy ethyl carbonate;hydride

C5H12MgO4 — CID 173249184

IUPACmagnesium;ethoxy ethyl carbonate;hydride
SMILESCCOOC(=O)OCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O4.Mg.2H/c1-3-7-5(6)9-8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyXJXYZJQAQSQMHT-UHFFFAOYSA-N
MW160.45 g/mol
LogP0.96
Rot. Bonds3

About magnesium;ethoxy ethyl carbonate;hydride

magnesium;ethoxy ethyl carbonate;hydride (PubChem CID 173249184) has the molecular formula C5H12MgO4 and a molecular weight of 160.45 g/mol. Its IUPAC name is magnesium;ethoxy ethyl carbonate;hydride.

Molecular Properties

Compound Namemagnesium;ethoxy ethyl carbonate;hydride
PubChem CID173249184
Molecular FormulaC5H12MgO4
Molecular Weight160.45 g/mol
Exact Mass160.06
IUPAC Namemagnesium;ethoxy ethyl carbonate;hydride
SMILESCCOOC(=O)OCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O4.Mg.2H/c1-3-7-5(6)9-8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyXJXYZJQAQSQMHT-UHFFFAOYSA-N
XLogP0.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.45
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze magnesium;ethoxy ethyl carbonate;hydride with MolForge

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

Launch Full Analysis

Related Compounds

magnesium;diethyl carbonate;hydride
CID 173249173
ethyl methylsulfanylmethoxy carbonate
CID 54520644
CID 175796855
CID 175796855
acetylene;diethyl carbonate
CID 87073597
ethoxy propan-2-yl carbonate
CID 21290921
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl 2-amino-2-hydroxypropaneperoxoate
CID 175313861
(7-ethoxycarbonylperoxy-2,7-dimethylocta-3,5-diyn-2-yl)oxy ethyl carbonate
CID 18939211
ethyl fluoro carbonate
CID 18542699
ethyl 2-ethylperoxycarbonylpentanoate
CID 174863667
ethyl 10-ethylperoxy-10-oxodecanoate
CID 23158818

Frequently Asked Questions

What is the IUPAC name of magnesium;ethoxy ethyl carbonate;hydride?
The IUPAC name of magnesium;ethoxy ethyl carbonate;hydride (CID 173249184) is magnesium;ethoxy ethyl carbonate;hydride.
What is the SMILES notation for magnesium;ethoxy ethyl carbonate;hydride?
The canonical SMILES for magnesium;ethoxy ethyl carbonate;hydride is CCOOC(=O)OCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;ethoxy ethyl carbonate;hydride?
The InChIKey is XJXYZJQAQSQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.Mg.2H/c1-3-7-5(6)9-8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;ethoxy ethyl carbonate;hydride?
magnesium;ethoxy ethyl carbonate;hydride has a molecular weight of 160.45 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethoxy ethyl carbonate;hydride is sourced from PubChem (CID 173249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).