TL;DR: 2-(2-(Heptyloxy)ethoxy)ethanol (CAS 25961-87-9) is a chemical compound with molecular formula C11H24O3 and molecular weight 204.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-heptoxyethoxy)ethanol
Also Known As: Diethylene glycol heptyl ether, 2-(2-heptoxyethoxy)ethanol, 2-(2-(Heptyloxy)ethoxy)ethanol, 3,6-Dioxatridecan-1-ol, Diethylene glycol monoheptyl ether
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H24O3 |
| Molecular Weight | 204.17255 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 204.17255 Da |
| Heavy Atoms | 14 |
| Complexity | 96.0 |
| SMILES | CCCCCCCOCCOCCO |
| InChIKey | OVPQPMTZOLCPHB-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(Heptyloxy)ethoxy)ethanol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(2-(Heptyloxy)ethoxy)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(Heptyloxy)ethoxy)ethanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-(Heptyloxy)ethoxy)ethanol is 25961-87-9.
The molecular formula of 2-(2-(Heptyloxy)ethoxy)ethanol is C11H24O3.
The molecular weight of 2-(2-(Heptyloxy)ethoxy)ethanol is 204.17255 g/mol.
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