About dipropylphosphane
dipropylphosphane (PubChem CID 12057559) has the molecular formula C6H15P
and a molecular weight of 118.16 g/mol. Its IUPAC name is dipropylphosphane.
Molecular Properties
| Compound Name | dipropylphosphane |
| PubChem CID | 12057559 |
| Molecular Formula | C6H15P |
| Molecular Weight | 118.16 g/mol |
| Exact Mass | 118.09 |
| IUPAC Name | dipropylphosphane |
| SMILES | CCCPCCC |
| InChI | InChI=1S/C6H15P/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | MTWCVKTUVWXLFS-UHFFFAOYSA-N |
| XLogP | 2.48 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 118.16 |
| LogP ≤ 5 | 2.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dipropylphosphane?
The IUPAC name of dipropylphosphane (CID 12057559) is dipropylphosphane.
What is the SMILES notation for dipropylphosphane?
The canonical SMILES for dipropylphosphane is CCCPCCC.
What is the InChIKey of dipropylphosphane?
The InChIKey is MTWCVKTUVWXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of dipropylphosphane?
dipropylphosphane has a molecular weight of 118.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylphosphane is sourced from PubChem (CID 12057559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).