3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-
TL;DR: 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- (CAS 121317-26-8) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-1-hex-5-ynyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-, 1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-hex-5-ynyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-t-butyl-1-(hex-5-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.17255 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.17255 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | CC(C)(C)C12COC(OC1)(OC2)CCCCC#C |
| InChIKey | HHBKTCCOTSGYHP-UHFFFAOYSA-N |
Chemical Property Profile of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-
Property Insights of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-
The XLogP value of 3.1 indicates that 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- 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
What is the CAS number of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-?
The CAS number of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- is 121317-26-8.
What is the molecular formula of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-?
The molecular formula of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- is C15H24O3.
What is the molecular weight of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-?
The molecular weight of 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- is 252.17255 g/mol.
Where can I buy 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-?
You can request a quote for 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl-?
Yes, CoreyChem provides custom synthesis services for 3,5,8-Trioxabicyclo(2.2.2)octane, 1-tert-butyl-4-hex-5-ynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.