TL;DR: Ethane, 1-chloro-1-ethoxy- (CAS 7081-78-9) is a chemical compound with molecular formula C4H9ClO and molecular weight 108.034195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-1-ethoxyethane
Also Known As: 1-CHLORO-1-ETHOXYETHANE, Chlorather, Ethane, 1-chloro-1-ethoxy-, 1-chloroethyl ethyl ether, 1-chloroethyl ethyl-ether
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H9ClO |
| Molecular Weight | 108.034195 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.034195 Da |
| Heavy Atoms | 6 |
| Complexity | 30.0 |
| SMILES | CCOC(C)Cl |
| InChIKey | URGLIMIKUNFFMT-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane, 1-chloro-1-ethoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, Ethane, 1-chloro-1-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 1-chloro-1-ethoxy- 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 Ethane, 1-chloro-1-ethoxy- is 7081-78-9.
The molecular formula of Ethane, 1-chloro-1-ethoxy- is C4H9ClO.
The molecular weight of Ethane, 1-chloro-1-ethoxy- is 108.034195 g/mol.
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