About 4-dimethylphosphanylbutyl(diphenyl)phosphane
4-dimethylphosphanylbutyl(diphenyl)phosphane (PubChem CID 13159123) has the molecular formula C18H24P2
and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-dimethylphosphanylbutyl(diphenyl)phosphane.
Molecular Properties
| Compound Name | 4-dimethylphosphanylbutyl(diphenyl)phosphane |
| PubChem CID | 13159123 |
| Molecular Formula | C18H24P2 |
| Molecular Weight | 302.34 g/mol |
| Exact Mass | 302.14 |
| IUPAC Name | 4-dimethylphosphanylbutyl(diphenyl)phosphane |
| SMILES | CP(C)CCCCP(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C18H24P2/c1-19(2)15-9-10-16-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3 |
| InChIKey | ZHHWQCCLLHCQNG-UHFFFAOYSA-N |
| XLogP | 4.64 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 7 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 302.34 |
| LogP ≤ 5 | 4.64 |
| 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 4-dimethylphosphanylbutyl(diphenyl)phosphane?
The IUPAC name of 4-dimethylphosphanylbutyl(diphenyl)phosphane (CID 13159123) is 4-dimethylphosphanylbutyl(diphenyl)phosphane.
What is the SMILES notation for 4-dimethylphosphanylbutyl(diphenyl)phosphane?
The canonical SMILES for 4-dimethylphosphanylbutyl(diphenyl)phosphane is CP(C)CCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-dimethylphosphanylbutyl(diphenyl)phosphane?
The InChIKey is ZHHWQCCLLHCQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24P2/c1-19(2)15-9-10-16-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3.
What are the key properties of 4-dimethylphosphanylbutyl(diphenyl)phosphane?
4-dimethylphosphanylbutyl(diphenyl)phosphane has a molecular weight of 302.34 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphanylbutyl(diphenyl)phosphane is sourced from PubChem (CID 13159123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).