About 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane
1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane (PubChem CID 11846064) has the molecular formula C15H19P
and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane.
Molecular Properties
| Compound Name | 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane |
| PubChem CID | 11846064 |
| Molecular Formula | C15H19P |
| Molecular Weight | 230.29 g/mol |
| Exact Mass | 230.12 |
| IUPAC Name | 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane |
| SMILES | C=C(C1=CCCCC1)P(C)c1ccccc1 |
| InChI | InChI=1S/C15H19P/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15/h4,7-9,11-12H,1,3,5-6,10H2,2H3 |
| InChIKey | WIFXWJVCQCYFSU-UHFFFAOYSA-N |
| XLogP | 4.44 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 230.29 |
| LogP ≤ 5 | 4.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane?
The IUPAC name of 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane (CID 11846064) is 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane?
The canonical SMILES for 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane is C=C(C1=CCCCC1)P(C)c1ccccc1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane?
The InChIKey is WIFXWJVCQCYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19P/c1-13(14-9-5-3-6-10-14)16(2)15-11-7-4-8-12-15/h4,7-9,11-12H,1,3,5-6,10H2,2H3.
What are the key properties of 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane?
1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane has a molecular weight of 230.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethenyl-methyl-phenylphosphane is sourced from PubChem (CID 11846064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).