TL;DR: 2-Ethyl-3-pentyloxirane (CAS 117842-33-8) is a chemical compound with molecular formula C9H18O and molecular weight 142.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-3-pentyloxirane
Also Known As: 2-Ethyl-3-pentyloxirane, 3-nonene oxide, trans-3,4-Epoxynonane, Oxirane, 2-ethyl-3-pentyl-, Oxirane, 2-ethyl-3-pentyl-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H18O |
| Molecular Weight | 142.13577 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.13577 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| SMILES | CCCCCC1C(O1)CC |
| InChIKey | BRBFKTQUGYOOEX-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-Ethyl-3-pentyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Ethyl-3-pentyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3-pentyloxirane 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-Ethyl-3-pentyloxirane is 117842-33-8.
The molecular formula of 2-Ethyl-3-pentyloxirane is C9H18O.
The molecular weight of 2-Ethyl-3-pentyloxirane is 142.13577 g/mol.
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