TL;DR: 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- (CAS 105430-58-8) is a chemical compound with molecular formula C17H28O and molecular weight 248.21402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-one
Also Known As: tetrapropylcyclopentadienone, 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl-, 2,3,4,5-tetrapropyl cyclopentadienone, 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-one, J1.484.689A
| Molecular Formula | C17H28O |
| Molecular Weight | 248.21402 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.21402 Da |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
| SMILES | CCCC1=C(C(=O)C(=C1CCC)CCC)CCC |
| InChIKey | UREAXPPWHXVKLN-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- is 105430-58-8.
The molecular formula of 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- is C17H28O.
The molecular weight of 2,4-Cyclopentadien-1-one, 2,3,4,5-tetrapropyl- is 248.21402 g/mol.
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