7-Oxabicyclo(2.2.1)hepta-2,5-diene
TL;DR: 7-Oxabicyclo(2.2.1)hepta-2,5-diene (CAS 116216-76-3) is a chemical compound with molecular formula C6H6O and molecular weight 94.04186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-oxabicyclo[2.2.1]hepta-2,5-diene
Also Known As: Oxanorbornadiene, 7-OXANORBORNADIENE, 7-oxabicyclo[2.2.1]hepta-2,5-diene, 1,4-Epoxy-2,5-cyclohexadiene, 3,6-Epoxy-1,4-cyclohexadiene
Technical Specifications
| Molecular Formula | C6H6O |
| Molecular Weight | 94.04186 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.04186 Da |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
| SMILES | C1=CC2C=CC1O2 |
| InChIKey | YKCNBNDWSATCJL-UHFFFAOYSA-N |
Chemical Property Profile of 7-Oxabicyclo(2.2.1)hepta-2,5-diene
Property Insights of 7-Oxabicyclo(2.2.1)hepta-2,5-diene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)hepta-2,5-diene. With a topological polar surface area (TPSA) of 9.2 Ų, 7-Oxabicyclo(2.2.1)hepta-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)hepta-2,5-diene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Oxabicyclo(2.2.1)hepta-2,5-diene?
The CAS number of 7-Oxabicyclo(2.2.1)hepta-2,5-diene is 116216-76-3.
What is the molecular formula of 7-Oxabicyclo(2.2.1)hepta-2,5-diene?
The molecular formula of 7-Oxabicyclo(2.2.1)hepta-2,5-diene is C6H6O.
What is the molecular weight of 7-Oxabicyclo(2.2.1)hepta-2,5-diene?
The molecular weight of 7-Oxabicyclo(2.2.1)hepta-2,5-diene is 94.04186 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)hepta-2,5-diene?
You can request a quote for 7-Oxabicyclo(2.2.1)hepta-2,5-diene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Oxabicyclo(2.2.1)hepta-2,5-diene?
Yes, CoreyChem provides custom synthesis services for 7-Oxabicyclo(2.2.1)hepta-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.