About 2,3-dimethylbut-2-ene;phosphane
2,3-dimethylbut-2-ene;phosphane (PubChem CID 159112773) has the molecular formula C6H18P2
and a molecular weight of 152.16 g/mol. Its IUPAC name is 2,3-dimethylbut-2-ene;phosphane.
Molecular Properties
| Compound Name | 2,3-dimethylbut-2-ene;phosphane |
| PubChem CID | 159112773 |
| Molecular Formula | C6H18P2 |
| Molecular Weight | 152.16 g/mol |
| Exact Mass | 152.09 |
| IUPAC Name | 2,3-dimethylbut-2-ene;phosphane |
| SMILES | CC(C)=C(C)C.P.P |
| InChI | InChI=1S/C6H12.2H3P/c1-5(2)6(3)4;;/h1-4H3;2*1H3 |
| InChIKey | KERZGRKZFHUZJP-UHFFFAOYSA-N |
| XLogP | 2.48 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 8 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 152.16 |
| LogP ≤ 5 | 2.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,3-dimethylbut-2-ene;phosphane?
The IUPAC name of 2,3-dimethylbut-2-ene;phosphane (CID 159112773) is 2,3-dimethylbut-2-ene;phosphane.
What is the SMILES notation for 2,3-dimethylbut-2-ene;phosphane?
The canonical SMILES for 2,3-dimethylbut-2-ene;phosphane is CC(C)=C(C)C.P.P.
What is the InChIKey of 2,3-dimethylbut-2-ene;phosphane?
The InChIKey is KERZGRKZFHUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2H3P/c1-5(2)6(3)4;;/h1-4H3;2*1H3.
What are the key properties of 2,3-dimethylbut-2-ene;phosphane?
2,3-dimethylbut-2-ene;phosphane has a molecular weight of 152.16 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-ene;phosphane is sourced from PubChem (CID 159112773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).