2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- (CAS 70636-92-9) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Isopropyl-4-tert-butylbicycloorthocarboxylate, 4-(1,1-Dimethylethyl)-1-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-, 1-tert-butyl-4-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 4-tert-Butyl-1-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 70636-92-9 |
|---|---|
| SMILES | CC(C)C12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | RUKBUVLRBAAZOT-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- (CAS 70636-92-9), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 4-tert-butyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- is 70636-92-9.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- is C12H22O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- is 214.16 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.