TL;DR: Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- (CAS 7179-09-1) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(1-hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-ol
Also Known As: Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-, Cyclohexyl-N-phosphonomethylglycinat, 1,4-BIS -1,3-BUTADIYNE, LABOTEST-BB LT00454129, 1,4-BIS(1-HYDROXYCYCLOPENTYL)-1,3-BUTADIYNE
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.13068 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.13068 Da |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
| SMILES | C1CCC(C1)(C#CC#CC2(CCCC2)O)O |
| InChIKey | UOUCEWJFYFFIKW-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-. With a topological polar surface area (TPSA) of 40.5 Ų, Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- 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 Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- is 7179-09-1.
The molecular formula of Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- is C14H18O2.
The molecular weight of Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- is 218.13068 g/mol.
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