2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- (CAS 27761-61-1) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dimethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-, 1,4-Dimethyl-2,6,7-trioxabicyclo(2.2.2)octane, 5-19-09-00128 (Beilstein Handbook Reference), 1,4-Dimethyl-2,6,7-trioxabicyclo[2.2.2]octane, 1,4-dimethyl-3,5,8-trioxabicyclo[2.2.2]octane
Technical Specifications
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | CC12COC(OC1)(OC2)C |
| InChIKey | GDZAVHGIQPTDDN-UHFFFAOYSA-N |
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- has 0 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 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- is 27761-61-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- is C7H12O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- is 144.07864 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.