About magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride
magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride (PubChem CID 174635208) has the molecular formula C7H10MgO
and a molecular weight of 134.46 g/mol. Its IUPAC name is magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride.
Molecular Properties
| Compound Name | magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride |
|---|
| PubChem CID | 174635208 |
|---|
| Molecular Formula | C7H10MgO |
|---|
| Molecular Weight | 134.46 g/mol |
|---|
| Exact Mass | 134.06 |
|---|
| IUPAC Name | magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride |
|---|
| SMILES | O=CCC1C=CC=C1.[H-].[H-].[Mg+2] |
|---|
| InChI | InChI=1S/C7H8O.Mg.2H/c8-6-5-7-3-1-2-4-7;;;/h1-4,6-7H,5H2;;;/q;+2;2*-1 |
|---|
| InChIKey | ZYGYQQLWFAAOKG-UHFFFAOYSA-N |
|---|
| XLogP | 1.16 |
|---|
| TPSA | 17.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 134.46 |
| LogP ≤ 5 | 1.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Analyze magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride 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;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride?
The IUPAC name of magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride (CID 174635208) is magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride.
What is the SMILES notation for magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride?
The canonical SMILES for magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride is O=CCC1C=CC=C1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride?
The InChIKey is ZYGYQQLWFAAOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Mg.2H/c8-6-5-7-3-1-2-4-7;;;/h1-4,6-7H,5H2;;;/q;+2;2*-1.
What are the key properties of magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride?
magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride has a molecular weight of 134.46 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride is sourced from PubChem (CID 174635208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).