1,3,5-Tri-tert-butylcyclopentadiene
TL;DR: 1,3,5-Tri-tert-butylcyclopentadiene (CAS 125736-01-8) is a chemical compound with molecular formula C21H39NO3Si and molecular weight 381.26993 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9-azabicyclo[4.2.1]nonane-9-carboxylate
Also Known As: 1,3,5-Tri-tert-butylcyclopentadiene, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-(1-(((1,1-dimethylethyl)dimethylsilyl)oxy)ethenyl)-, 1,1-dimethylethyl ester, endo-, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-(1-(((1,1-dimethylethyl)dimethylsilyl)oxy)ethenyl)-, 1,1-dimethylethyl ester, exo-, 9-Azabicyclo[4.2.1]nonane-9-carboxylicacid, 2-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethenyl]-, 1,1-dimethylethylester, (1R,2S,6R)-rel-, 2-Methyl-2-propanyl 2-(1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy }vinyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate
Technical Specifications
| Molecular Formula | C21H39NO3Si |
| Molecular Weight | 381.26993 g/mol |
| XLogP | 6.0901 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.26993 Da |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
| SMILES | CC(C)(C)OC(=O)N1C2CCCC(C1CC2)C(=C)O[Si](C)(C)C(C)(C)C |
| InChIKey | MZQSBCZFDLUCAI-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,5-Tri-tert-butylcyclopentadiene
Property Insights of 1,3,5-Tri-tert-butylcyclopentadiene
The XLogP value of 6.0901 indicates that 1,3,5-Tri-tert-butylcyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 1,3,5-Tri-tert-butylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Tri-tert-butylcyclopentadiene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3,5-Tri-tert-butylcyclopentadiene?
The CAS number of 1,3,5-Tri-tert-butylcyclopentadiene is 125736-01-8.
What is the molecular formula of 1,3,5-Tri-tert-butylcyclopentadiene?
The molecular formula of 1,3,5-Tri-tert-butylcyclopentadiene is C21H39NO3Si.
What is the molecular weight of 1,3,5-Tri-tert-butylcyclopentadiene?
The molecular weight of 1,3,5-Tri-tert-butylcyclopentadiene is 381.26993 g/mol.
Where can I buy 1,3,5-Tri-tert-butylcyclopentadiene?
You can request a quote for 1,3,5-Tri-tert-butylcyclopentadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Tri-tert-butylcyclopentadiene?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Tri-tert-butylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.