TL;DR: 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene (CAS 106623-87-4) is a chemical compound with molecular formula C11H18 and molecular weight 150.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propan-2-ylbicyclo[2.2.2]oct-2-ene
Also Known As: 5-propan-2-ylbicyclo[2.2.2]oct-2-ene, 7-propan-2-ylbicyclo[2.2.2]oct-2-ene, 5-(Propan-2-yl)bicyclo[2.2.2]oct-2-ene, Bicyclo(2.2.2)oct-2-ene, 5-(1-methylethyl)-, (1alpha,4alpha,5beta)-, Bicyclo(2.2.2)oct-2-ene, 5-(1-methylethyl)-, (1alpha,4alpha,5alpha)-
| Molecular Formula | C11H18 |
| Molecular Weight | 150.14085 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.14085 Da |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
| SMILES | CC(C)C1CC2CCC1C=C2 |
| InChIKey | MWCYZAVQYCJVIJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene is 106623-87-4.
The molecular formula of 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene is C11H18.
The molecular weight of 5-Propan-2-ylbicyclo[2.2.2]oct-2-ene is 150.14085 g/mol.
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