About magnesium;pent-1-yne;chloride;hydrochloride
magnesium;pent-1-yne;chloride;hydrochloride (PubChem CID 174945949) has the molecular formula C5H8Cl2Mg
and a molecular weight of 163.33 g/mol. Its IUPAC name is magnesium;pent-1-yne;chloride;hydrochloride.
Molecular Properties
| Compound Name | magnesium;pent-1-yne;chloride;hydrochloride |
|---|
| PubChem CID | 174945949 |
|---|
| Molecular Formula | C5H8Cl2Mg |
|---|
| Molecular Weight | 163.33 g/mol |
|---|
| Exact Mass | 161.99 |
|---|
| IUPAC Name | magnesium;pent-1-yne;chloride;hydrochloride |
|---|
| SMILES | Cl.[C-]#CCCC.[Cl-].[Mg+2] |
|---|
| InChI | InChI=1S/C5H7.2ClH.Mg/c1-3-5-4-2;;;/h3,5H2,1H3;2*1H;/q-1;;;+2/p-1 |
|---|
| InChIKey | RIEQGJLMHXNJKZ-UHFFFAOYSA-M |
|---|
| XLogP | -1.58 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.33 |
| LogP ≤ 5 | -1.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze magnesium;pent-1-yne;chloride;hydrochloride 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;pent-1-yne;chloride;hydrochloride?
The IUPAC name of magnesium;pent-1-yne;chloride;hydrochloride (CID 174945949) is magnesium;pent-1-yne;chloride;hydrochloride.
What is the SMILES notation for magnesium;pent-1-yne;chloride;hydrochloride?
The canonical SMILES for magnesium;pent-1-yne;chloride;hydrochloride is Cl.[C-]#CCCC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;pent-1-yne;chloride;hydrochloride?
The InChIKey is RIEQGJLMHXNJKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7.2ClH.Mg/c1-3-5-4-2;;;/h3,5H2,1H3;2*1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;pent-1-yne;chloride;hydrochloride?
magnesium;pent-1-yne;chloride;hydrochloride has a molecular weight of 163.33 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pent-1-yne;chloride;hydrochloride is sourced from PubChem (CID 174945949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).