TL;DR: 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol (CAS 133921-29-6) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.2508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[4-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]undecan-1-ol
Also Known As: 11-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol, 11-[4-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]undecan-1-ol, 11-[4-(3-Hydroxy-3-methyl-1-butyn-1-yl)phenoxy]-1-undecanol
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.2508 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 346.2508 Da |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
| SMILES | CC(C)(C#CC1=CC=C(C=C1)OCCCCCCCCCCCO)O |
| InChIKey | QCDWSSLFTOOSGQ-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol is 133921-29-6.
The molecular formula of 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol is C22H34O3.
The molecular weight of 11-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)phenoxy]undecan-1-ol is 346.2508 g/mol.
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