2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane
TL;DR: 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane (CAS 62759-67-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,5-trimethyl-3,8,9-trioxabicyclo[4.2.1]nonane
Also Known As: 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane, 2,2,6-trimethyl-4,7,9-trioxabicyclo[4.2.1]nonane, 3,8,9-Trioxabicyclo[4.2.1]nonane, 1,5,5-trimethyl-, 1,5,5-Trimethyl-3,8,9-trioxabicyclo[4.2.1]nonane, 1,5,5-Trimethyl-3,8,9-trioxabicyclo[4.2.1]nonane #
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 62759-67-5 |
|---|---|
| SMILES | CC1(COCC2(OCC1O2)C)C |
| InChIKey | IPRFFWITMANHQM-UHFFFAOYSA-N |
Product Overview
2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane (CAS 62759-67-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 1,5,5-trimethyl-3,8,9-trioxabicyclo[4.2.1]nonane.
Chemical Property Profile of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane
Property Insights of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane 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
Frequently Asked Questions
What is the CAS number of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane?
The CAS number of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane is 62759-67-5.
What is the molecular formula of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane?
The molecular formula of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane is C9H16O3.
What is the molecular weight of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane?
The molecular weight of 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane is 172.11 g/mol.
Where can I buy 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane?
You can request a quote for 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,6-Trimethyl-4,7,9-trioxabicyclo(4,2,1)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.