TL;DR: 9-Oxabicyclo[3.3.1]nonane-2,6-diol (CAS 15458-61-4) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-oxabicyclo[3.3.1]nonane-2,6-diol
Also Known As: 9-Oxabicyclo[3.3.1]nonane-2,6-diol, 9-Oxabicyclo(3.3.1)nonane-2,6-diol, 2,6-Dihydroxy-9-oxabicyclo[3.3.1]nonane, exo,exo-2,6-Dihydroxy-9-oxabicyclo<3.3.1>nonan, endo,endo-2,6-Dihydroxy-9-oxabicyclo<3.3.1>nonan
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1CC2C(CCC(C1O)O2)O |
| InChIKey | SIZKKURETCQUKI-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxabicyclo[3.3.1]nonane-2,6-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 9-Oxabicyclo[3.3.1]nonane-2,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxabicyclo[3.3.1]nonane-2,6-diol 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 9-Oxabicyclo[3.3.1]nonane-2,6-diol is 15458-61-4.
The molecular formula of 9-Oxabicyclo[3.3.1]nonane-2,6-diol is C8H14O3.
The molecular weight of 9-Oxabicyclo[3.3.1]nonane-2,6-diol is 158.0943 g/mol.
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