Bicyclo(2.2.2)octane-1,4-diol, monoacetate
TL;DR: Bicyclo(2.2.2)octane-1,4-diol, monoacetate (CAS 54774-94-6) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxy-1-bicyclo[2.2.2]octanyl) acetate
Also Known As: 4-acetoxybicyclo<2.2.2>octan-1-ol, 4-hydroxybicyclo[2.2.2]octan-1-yl acetate, BICYCLO(2.2.2)OCTANE-1,4-DIOL, MONOACETATE, Bicyclo[2.2.2]octane-1,4-diol, monoacetate, Bicyclo[2.2.2]octane-1,4-diol 1-acetate
Technical Specifications
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.10994 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10994 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC(=O)OC12CCC(CC1)(CC2)O |
| InChIKey | OSRXXHFYYBJIOW-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo(2.2.2)octane-1,4-diol, monoacetate
Property Insights of Bicyclo(2.2.2)octane-1,4-diol, monoacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.2)octane-1,4-diol, monoacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Bicyclo(2.2.2)octane-1,4-diol, monoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.2)octane-1,4-diol, monoacetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bicyclo(2.2.2)octane-1,4-diol, monoacetate?
The CAS number of Bicyclo(2.2.2)octane-1,4-diol, monoacetate is 54774-94-6.
What is the molecular formula of Bicyclo(2.2.2)octane-1,4-diol, monoacetate?
The molecular formula of Bicyclo(2.2.2)octane-1,4-diol, monoacetate is C10H16O3.
What is the molecular weight of Bicyclo(2.2.2)octane-1,4-diol, monoacetate?
The molecular weight of Bicyclo(2.2.2)octane-1,4-diol, monoacetate is 184.10994 g/mol.
Where can I buy Bicyclo(2.2.2)octane-1,4-diol, monoacetate?
You can request a quote for Bicyclo(2.2.2)octane-1,4-diol, monoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo(2.2.2)octane-1,4-diol, monoacetate?
Yes, CoreyChem provides custom synthesis services for Bicyclo(2.2.2)octane-1,4-diol, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.