dimagnesium;methanidylbenzene;propanedioic acid

C17H18Mg2O4+2 — CID 173361210

IUPACdimagnesium;methanidylbenzene;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Mg+2].[Mg+2]
InChIInChI=1S/2C7H7.C3H4O4.2Mg/c2*1-7-5-3-2-4-6-7;4-2(5)1-3(6)7;;/h2*2-6H,1H2;1H2,(H,4,5)(H,6,7);;/q2*-1;;2*+2
InChIKeyQXZOLNAMTZQWCS-UHFFFAOYSA-N
MW334.94 g/mol
LogP2.52
Rot. Bonds2

About dimagnesium;methanidylbenzene;propanedioic acid

dimagnesium;methanidylbenzene;propanedioic acid (PubChem CID 173361210) has the molecular formula C17H18Mg2O4+2 and a molecular weight of 334.94 g/mol. Its IUPAC name is dimagnesium;methanidylbenzene;propanedioic acid.

Molecular Properties

Compound Namedimagnesium;methanidylbenzene;propanedioic acid
PubChem CID173361210
Molecular FormulaC17H18Mg2O4+2
Molecular Weight334.94 g/mol
Exact Mass334.09
IUPAC Namedimagnesium;methanidylbenzene;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Mg+2].[Mg+2]
InChIInChI=1S/2C7H7.C3H4O4.2Mg/c2*1-7-5-3-2-4-6-7;4-2(5)1-3(6)7;;/h2*2-6H,1H2;1H2,(H,4,5)(H,6,7);;/q2*-1;;2*+2
InChIKeyQXZOLNAMTZQWCS-UHFFFAOYSA-N
XLogP2.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.94
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;methanidylbenzene;propanedioic acid?
The IUPAC name of dimagnesium;methanidylbenzene;propanedioic acid (CID 173361210) is dimagnesium;methanidylbenzene;propanedioic acid.
What is the SMILES notation for dimagnesium;methanidylbenzene;propanedioic acid?
The canonical SMILES for dimagnesium;methanidylbenzene;propanedioic acid is O=C(O)CC(=O)O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;methanidylbenzene;propanedioic acid?
The InChIKey is QXZOLNAMTZQWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.C3H4O4.2Mg/c2*1-7-5-3-2-4-6-7;4-2(5)1-3(6)7;;/h2*2-6H,1H2;1H2,(H,4,5)(H,6,7);;/q2*-1;;2*+2.
What are the key properties of dimagnesium;methanidylbenzene;propanedioic acid?
dimagnesium;methanidylbenzene;propanedioic acid has a molecular weight of 334.94 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;methanidylbenzene;propanedioic acid is sourced from PubChem (CID 173361210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).