About magnesium;benzene;propane
magnesium;benzene;propane (PubChem CID 22617538) has the molecular formula C9H12Mg
and a molecular weight of 144.50 g/mol. Its IUPAC name is magnesium;benzene;propane.
Molecular Properties
| Compound Name | magnesium;benzene;propane |
|---|
| PubChem CID | 22617538 |
|---|
| Molecular Formula | C9H12Mg |
|---|
| Molecular Weight | 144.50 g/mol |
|---|
| Exact Mass | 144.08 |
|---|
| IUPAC Name | magnesium;benzene;propane |
|---|
| SMILES | C[CH-]C.[Mg+2].[c-]1ccccc1 |
|---|
| InChI | InChI=1S/C6H5.C3H7.Mg/c1-2-4-6-5-3-1;1-3-2;/h1-5H;3H,1-2H3;/q2*-1;+2 |
|---|
| InChIKey | CGEIMDBSAFRYIY-UHFFFAOYSA-N |
|---|
| XLogP | 2.34 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 144.50 |
| LogP ≤ 5 | 2.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze magnesium;benzene;propane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of magnesium;benzene;propane?
The IUPAC name of magnesium;benzene;propane (CID 22617538) is magnesium;benzene;propane.
What is the SMILES notation for magnesium;benzene;propane?
The canonical SMILES for magnesium;benzene;propane is C[CH-]C.[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;propane?
The InChIKey is CGEIMDBSAFRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C3H7.Mg/c1-2-4-6-5-3-1;1-3-2;/h1-5H;3H,1-2H3;/q2*-1;+2.
What are the key properties of magnesium;benzene;propane?
magnesium;benzene;propane has a molecular weight of 144.50 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;propane is sourced from PubChem (CID 22617538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).