dimagnesium;carbanide;hydrate

C2H8Mg2O+2 — CID 173451752

IUPACdimagnesium;carbanide;hydrate
SMILESO.[CH3-].[CH3-].[Mg+2].[Mg+2]
InChIInChI=1S/2CH3.2Mg.H2O/h2*1H3;;;1H2/q2*-1;2*+2;
InChIKeyNEQJDUBIZVQXKI-UHFFFAOYSA-N
MW96.69 g/mol
LogP-0.69
Rot. Bonds

About dimagnesium;carbanide;hydrate

dimagnesium;carbanide;hydrate (PubChem CID 173451752) has the molecular formula C2H8Mg2O+2 and a molecular weight of 96.69 g/mol. Its IUPAC name is dimagnesium;carbanide;hydrate.

Molecular Properties

Compound Namedimagnesium;carbanide;hydrate
PubChem CID173451752
Molecular FormulaC2H8Mg2O+2
Molecular Weight96.69 g/mol
Exact Mass96.03
IUPAC Namedimagnesium;carbanide;hydrate
SMILESO.[CH3-].[CH3-].[Mg+2].[Mg+2]
InChIInChI=1S/2CH3.2Mg.H2O/h2*1H3;;;1H2/q2*-1;2*+2;
InChIKeyNEQJDUBIZVQXKI-UHFFFAOYSA-N
XLogP-0.69
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.69
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;carbanide;hydrate?
The IUPAC name of dimagnesium;carbanide;hydrate (CID 173451752) is dimagnesium;carbanide;hydrate.
What is the SMILES notation for dimagnesium;carbanide;hydrate?
The canonical SMILES for dimagnesium;carbanide;hydrate is O.[CH3-].[CH3-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;carbanide;hydrate?
The InChIKey is NEQJDUBIZVQXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH3.2Mg.H2O/h2*1H3;;;1H2/q2*-1;2*+2;.
What are the key properties of dimagnesium;carbanide;hydrate?
dimagnesium;carbanide;hydrate has a molecular weight of 96.69 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;carbanide;hydrate is sourced from PubChem (CID 173451752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).