magnesium;diethyl carbonate;hydride

C5H12MgO3 — CID 173249173

IUPACmagnesium;diethyl carbonate;hydride
SMILESCCOC(=O)OCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O3.Mg.2H/c1-3-7-5(6)8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyGKKDWHULJOXIRJ-UHFFFAOYSA-N
MW144.45 g/mol
LogP1.02
Rot. Bonds2

About magnesium;diethyl carbonate;hydride

magnesium;diethyl carbonate;hydride (PubChem CID 173249173) has the molecular formula C5H12MgO3 and a molecular weight of 144.45 g/mol. Its IUPAC name is magnesium;diethyl carbonate;hydride.

Molecular Properties

Compound Namemagnesium;diethyl carbonate;hydride
PubChem CID173249173
Molecular FormulaC5H12MgO3
Molecular Weight144.45 g/mol
Exact Mass144.06
IUPAC Namemagnesium;diethyl carbonate;hydride
SMILESCCOC(=O)OCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O3.Mg.2H/c1-3-7-5(6)8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyGKKDWHULJOXIRJ-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.45
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 175796855
CID 175796855
acetylene;diethyl carbonate
CID 87073597
diethyl carbonate;ethane-1,2-diol
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diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
magnesium;ethoxy ethyl carbonate;hydride
CID 173249184
ethoxycarbonyloxymethoxymethyl ethyl carbonate
CID 142756637
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545
ethyl fluoro carbonate
CID 18542699
ethyl 2-oxoethyl carbonate
CID 87169722
(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
CID 10922384

Frequently Asked Questions

What is the IUPAC name of magnesium;diethyl carbonate;hydride?
The IUPAC name of magnesium;diethyl carbonate;hydride (CID 173249173) is magnesium;diethyl carbonate;hydride.
What is the SMILES notation for magnesium;diethyl carbonate;hydride?
The canonical SMILES for magnesium;diethyl carbonate;hydride is CCOC(=O)OCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;diethyl carbonate;hydride?
The InChIKey is GKKDWHULJOXIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.Mg.2H/c1-3-7-5(6)8-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;diethyl carbonate;hydride?
magnesium;diethyl carbonate;hydride has a molecular weight of 144.45 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;diethyl carbonate;hydride is sourced from PubChem (CID 173249173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).