![3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane structure](/static/products/100/1005104-98-2.webp)
3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane
TL;DR: 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane (CAS 1005104-98-2) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,4-trimethyl-7-oxabicyclo[4.1.0]heptane
Also Known As: 3,3,4-trimethyl-7-oxabicyclo[4.1.0]heptane, 3,4,4-trimethyl-7-oxabicyclo[4.1.0]heptane, 7-Oxabicyclo[4.1.0]heptane, 3,3,4-trimethyl-
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
| SMILES | CC1CC2C(O2)CC1(C)C |
| InChIKey | GDWLESMMGXUCAA-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane
Property Insights of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane. With a topological polar surface area (TPSA) of 12.5 Ų, 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]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 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane?
The CAS number of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane is 1005104-98-2.
What is the molecular formula of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane?
The molecular formula of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane is C9H16O.
What is the molecular weight of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane?
The molecular weight of 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane is 140.12012 g/mol.
Where can I buy 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane?
You can request a quote for 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane?
Yes, CoreyChem provides custom synthesis services for 3,3,4-Trimethyl-7-oxabicyclo[4.1.0]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.