TL;DR: Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- (CAS 141797-43-5) is a chemical compound with molecular formula C17H30O2 and molecular weight 266.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-hydroxy-3-methylbut-1-ynyl)cyclododecan-1-ol
Also Known As: Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)-, 1-(3-hydroxy-3-methylbut-1-ynyl)cyclododecan-1-ol, 1-(3-hydroxy-3-methyl-1-butyn-1-yl)cyclododecanol, 1-(3-Hydroxy-3-methyl-1-butynyl)-1-cyclododecanol, 1-(3-Hydroxy-3-methylbut-1-yn-1-yl)cyclododecanol
| Molecular Formula | C17H30O2 |
| Molecular Weight | 266.22458 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.22458 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | CC(C)(C#CC1(CCCCCCCCCCC1)O)O |
| InChIKey | NYBRBVNFZJFIDN-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- is 141797-43-5.
The molecular formula of Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- is C17H30O2.
The molecular weight of Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)- is 266.22458 g/mol.
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