TL;DR: 2-Hexylidenecyclopentan-1-one (CAS 103517-09-5) is a chemical compound with molecular formula C11H18O and molecular weight 166.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexylidenecyclopentan-1-one
Also Known As: jasmalone, 2-hexylidenecyclopentan-1-one, 2-Hexylidenecyclopentanone, Cyclopentanone, 2-hexylidene-, 2-hexylidene cyclopentanone
| Molecular Formula | C11H18O |
| Molecular Weight | 166.13577 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.13577 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | CCCCCC=C1CCCC1=O |
| InChIKey | WZPGQHVPSKTELT-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-Hexylidenecyclopentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Hexylidenecyclopentan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylidenecyclopentan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hexylidenecyclopentan-1-one is 103517-09-5.
The molecular formula of 2-Hexylidenecyclopentan-1-one is C11H18O.
The molecular weight of 2-Hexylidenecyclopentan-1-one is 166.13577 g/mol.
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