1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
TL;DR: 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one (CAS 70222-88-7) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
Also Known As: 6-Oxocineole, 2-Oxo-1,8-cineole, 1,8-epoxy-p-menthan-2-one, 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one, (+)-2-OXO-1,8-CINEOLE
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 70222-88-7 |
|---|---|
| SMILES | CC1(C2CCC(O1)(C(=O)C2)C)C |
| InChIKey | CCBAAZXPXFYPBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one (CAS 70222-88-7), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one.
Chemical Property Profile of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
Property Insights of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one?
The CAS number of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one is 70222-88-7.
What is the molecular formula of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one?
The molecular formula of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one is C10H16O2.
What is the molecular weight of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one?
The molecular weight of 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one is 168.12 g/mol.
Where can I buy 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one?
You can request a quote for 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.