1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane
TL;DR: 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane (CAS 15404-57-6) is a chemical compound with molecular formula C11H18O and molecular weight 166.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,3,7-tetramethylbicyclo[2.2.1]heptan-2-one
Also Known As: 1,3,3,7-TETRAMETHYL-2-OXOBICYCLO(2.2.1)HEPTANE, 2,2,4,7-tetramethylbicyclo[2.2.1]heptan-3-one, 1,3,3,7-TETRAMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE, 2-Oxabicyclo[2.2.1]heptane, 1,3,3,7-tetramethyl-, (1R,4S,7S)-()-, 2-Oxabicyclo[2.2.1]heptane,1,3,3,7-tetramethyl-, (1R,4S,7S)-(+)- (8CI)
Technical Specifications
| Molecular Formula | C11H18O |
| Molecular Weight | 166.13577 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.13577 Da |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
| SMILES | CC1C2CCC1(C(=O)C2(C)C)C |
| InChIKey | XGJCOUZDKSYXMP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane
Property Insights of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane 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 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane?
The CAS number of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane is 15404-57-6.
What is the molecular formula of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane?
The molecular formula of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane is C11H18O.
What is the molecular weight of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane?
The molecular weight of 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane is 166.13577 g/mol.
Where can I buy 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane?
You can request a quote for 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane?
Yes, CoreyChem provides custom synthesis services for 1,3,3,7-Tetramethyl-2-oxobicyclo(2.2.1)heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.