1,3,5-Tri-tert-butylcyclopentadiene
TL;DR: 1,3,5-Tri-tert-butylcyclopentadiene (CAS 125736-04-1) is a chemical compound with molecular formula C20H37NO4Si and molecular weight 383.24918 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[tert-butyl(dimethyl)silyl]-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[4.2.1]nonane-2-carboxylic acid
Also Known As: 1,3,5-Tri-tert-butylcyclopentadiene, 9-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-((1,1-dimethylethyl)dimethylsilyl) ester, endo-, 5-[tert-butyl(dimethyl)silyl]-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[4.2.1]nonane-5-carboxylic acid, 9-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-((1,1-dimethylethyl)dimethylsilyl) ester, exo-, 9-(tert-Butoxycarbonyl)-2-[tert-butyl(dimethyl)silyl]-9-azabicyclo[4.2.1]nonane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C20H37NO4Si |
| Molecular Weight | 383.24918 g/mol |
| XLogP | 5.2719 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.24918 Da |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
| SMILES | CC(C)(C)OC(=O)N1C2CCCC(C1CC2)(C(=O)O)[Si](C)(C)C(C)(C)C |
| InChIKey | QOFSIBUHAJRZLX-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 5.2719 indicates that 1,3,5-Tri-tert-butylcyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tri-tert-butylcyclopentadiene. Following Lipinski's Rule of Five, 1,3,5-Tri-tert-butylcyclopentadiene has 1 hydrogen bond donor(s) and 4 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 125736-04-1.
What is the molecular formula of 1,3,5-Tri-tert-butylcyclopentadiene?
The molecular formula of 1,3,5-Tri-tert-butylcyclopentadiene is C20H37NO4Si.
What is the molecular weight of 1,3,5-Tri-tert-butylcyclopentadiene?
The molecular weight of 1,3,5-Tri-tert-butylcyclopentadiene is 383.24918 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.