About propan-2-ylphosphane
propan-2-ylphosphane (PubChem CID 537979) has the molecular formula C3H9P
and a molecular weight of 76.08 g/mol. Its IUPAC name is propan-2-ylphosphane.
Molecular Properties
| Compound Name | propan-2-ylphosphane |
| PubChem CID | 537979 |
| Molecular Formula | C3H9P |
| Molecular Weight | 76.08 g/mol |
| Exact Mass | 76.04 |
| IUPAC Name | propan-2-ylphosphane |
| SMILES | CC(C)P |
| InChI | InChI=1S/C3H9P/c1-3(2)4/h3H,4H2,1-2H3 |
| InChIKey | HHDLJTLPOGOXLR-UHFFFAOYSA-N |
| XLogP | 1.27 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 4 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 76.08 |
| LogP ≤ 5 | 1.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze propan-2-ylphosphane 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 propan-2-ylphosphane?
The IUPAC name of propan-2-ylphosphane (CID 537979) is propan-2-ylphosphane.
What is the SMILES notation for propan-2-ylphosphane?
The canonical SMILES for propan-2-ylphosphane is CC(C)P.
What is the InChIKey of propan-2-ylphosphane?
The InChIKey is HHDLJTLPOGOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9P/c1-3(2)4/h3H,4H2,1-2H3.
What are the key properties of propan-2-ylphosphane?
propan-2-ylphosphane has a molecular weight of 76.08 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylphosphane is sourced from PubChem (CID 537979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).