Di-tert-butylcyclopentadiene
TL;DR: Di-tert-butylcyclopentadiene (CAS 114987-03-0) is a chemical compound with molecular formula C13H22 and molecular weight 178.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-ditert-butylcyclopenta-1,3-diene
Also Known As: Di-tert-butylcyclopentadiene, 2,5-ditert-butylcyclopenta-1,3-diene, 1,3-di-t-butylcyclopentadiene, 2,5-di-tert-butylcyclopenta-1,3-diene, Di-tert-butyl-1,3-cyclopentadiene
Technical Specifications
| Molecular Formula | C13H22 |
| Molecular Weight | 178.17215 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.17215 Da |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
| SMILES | CC(C)(C)C1C=CC(=C1)C(C)(C)C |
| InChIKey | RADVPPBTEASJRZ-UHFFFAOYSA-N |
Chemical Property Profile of Di-tert-butylcyclopentadiene
Property Insights of Di-tert-butylcyclopentadiene
The XLogP value of 4.6 indicates that Di-tert-butylcyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Di-tert-butylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-tert-butylcyclopentadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Di-tert-butylcyclopentadiene?
The CAS number of Di-tert-butylcyclopentadiene is 114987-03-0.
What is the molecular formula of Di-tert-butylcyclopentadiene?
The molecular formula of Di-tert-butylcyclopentadiene is C13H22.
What is the molecular weight of Di-tert-butylcyclopentadiene?
The molecular weight of Di-tert-butylcyclopentadiene is 178.17215 g/mol.
Where can I buy Di-tert-butylcyclopentadiene?
You can request a quote for Di-tert-butylcyclopentadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Di-tert-butylcyclopentadiene?
Yes, CoreyChem provides custom synthesis services for Di-tert-butylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.