magnesium;ethane-1,2-diol;oxygen(2-)

C2H6MgO3 — CID 88714636

IUPACmagnesium;ethane-1,2-diol;oxygen(2-)
SMILESOCCO.[Mg+2].[O-2]
InChIInChI=1S/C2H6O2.Mg.O/c3-1-2-4;;/h3-4H,1-2H2;;/q;+2;-2
InChIKeyKKKDFCUSAOTLKJ-UHFFFAOYSA-N
MW102.37 g/mol
LogP-1.53
Rot. Bonds1

About magnesium;ethane-1,2-diol;oxygen(2-)

magnesium;ethane-1,2-diol;oxygen(2-) (PubChem CID 88714636) has the molecular formula C2H6MgO3 and a molecular weight of 102.37 g/mol. Its IUPAC name is magnesium;ethane-1,2-diol;oxygen(2-).

Molecular Properties

Compound Namemagnesium;ethane-1,2-diol;oxygen(2-)
PubChem CID88714636
Molecular FormulaC2H6MgO3
Molecular Weight102.37 g/mol
Exact Mass102.02
IUPAC Namemagnesium;ethane-1,2-diol;oxygen(2-)
SMILESOCCO.[Mg+2].[O-2]
InChIInChI=1S/C2H6O2.Mg.O/c3-1-2-4;;/h3-4H,1-2H2;;/q;+2;-2
InChIKeyKKKDFCUSAOTLKJ-UHFFFAOYSA-N
XLogP-1.53
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.37
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;ethane-1,2-diol;oxygen(2-)?
The IUPAC name of magnesium;ethane-1,2-diol;oxygen(2-) (CID 88714636) is magnesium;ethane-1,2-diol;oxygen(2-).
What is the SMILES notation for magnesium;ethane-1,2-diol;oxygen(2-)?
The canonical SMILES for magnesium;ethane-1,2-diol;oxygen(2-) is OCCO.[Mg+2].[O-2].
What is the InChIKey of magnesium;ethane-1,2-diol;oxygen(2-)?
The InChIKey is KKKDFCUSAOTLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.Mg.O/c3-1-2-4;;/h3-4H,1-2H2;;/q;+2;-2.
What are the key properties of magnesium;ethane-1,2-diol;oxygen(2-)?
magnesium;ethane-1,2-diol;oxygen(2-) has a molecular weight of 102.37 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane-1,2-diol;oxygen(2-) is sourced from PubChem (CID 88714636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).