TL;DR: Einecs 249-772-2 (CAS 29681-21-8) is a chemical compound with molecular formula C9H20O4 and molecular weight 192.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-propan-2-yloxyethoxy)ethoxy]ethanol
Also Known As: Isopropyl Triglycol, 2-(2-(2-Isopropoxyethoxy)ethoxy)ethanol, 1-[2-(2-propan-2-yloxyethoxy)ethoxy]ethanol, 1-[2-[2-(Isopropyloxy)ethoxy]ethoxy]ethanol, Ethanol, 1-[2-[2-(1-methylethoxy)ethoxy]ethoxy]-
| Molecular Formula | C9H20O4 |
| Molecular Weight | 192.13615 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.13615 Da |
| Heavy Atoms | 13 |
| Complexity | 106.0 |
| SMILES | CC(C)OCCOCCOC(C)O |
| InChIKey | PMMZQEGTYWCTBY-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 249-772-2. With a topological polar surface area (TPSA) of 47.9 Ų, Einecs 249-772-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 249-772-2 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Einecs 249-772-2 is 29681-21-8.
The molecular formula of Einecs 249-772-2 is C9H20O4.
The molecular weight of Einecs 249-772-2 is 192.13615 g/mol.
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