TL;DR: 1-Butanol, 3,3'-oxybis- (CAS 54289-82-6) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxybutan-2-yloxy)butan-1-ol
Also Known As: 1-Butanol, 3,3'-oxybis-, 3,3'-Oxybis(butan-1-ol), 3,3'-Oxybisbutan-1-ol, 3,3'-Oxydi(butan-1-ol), 3,3 -Oxybis(1-butanol)
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H18O3 |
| Molecular Weight | 162.1256 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1256 Da |
| Heavy Atoms | 11 |
| Complexity | 75.0 |
| SMILES | CC(CCO)OC(C)CCO |
| InChIKey | ZIYSJVFROIOYRQ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 3,3'-oxybis-. With a topological polar surface area (TPSA) of 49.7 Ų, 1-Butanol, 3,3'-oxybis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 3,3'-oxybis- has 2 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 1-Butanol, 3,3'-oxybis- is 54289-82-6.
The molecular formula of 1-Butanol, 3,3'-oxybis- is C8H18O3.
The molecular weight of 1-Butanol, 3,3'-oxybis- is 162.1256 g/mol.
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