3,5-Bis(tert-butyl)toluene
TL;DR: 3,5-Bis(tert-butyl)toluene (CAS 15181-11-0) is a chemical compound with molecular formula C15H24 and molecular weight 204.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-ditert-butyl-5-methylbenzene
Also Known As: 3,5-Di-tert-butyltoluene, 1,3-Di-tert-butyl-5-methylbenzene, 3,5-Bis(tert-butyl)toluene, 1,3-Ditert-butyl-5-methylbenzene, 3,5-Di-t-butyltoluene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H24 |
| Molecular Weight | 204.1878 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.1878 Da |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| InChIKey | WIXDSJRJFDWTNY-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(tert-butyl)toluene
Property Insights of 3,5-Bis(tert-butyl)toluene
The XLogP value of 5.6 indicates that 3,5-Bis(tert-butyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Bis(tert-butyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(tert-butyl)toluene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Bis(tert-butyl)toluene?
The CAS number of 3,5-Bis(tert-butyl)toluene is 15181-11-0.
What is the molecular formula of 3,5-Bis(tert-butyl)toluene?
The molecular formula of 3,5-Bis(tert-butyl)toluene is C15H24.
What is the molecular weight of 3,5-Bis(tert-butyl)toluene?
The molecular weight of 3,5-Bis(tert-butyl)toluene is 204.1878 g/mol.
Where can I buy 3,5-Bis(tert-butyl)toluene?
You can request a quote for 3,5-Bis(tert-butyl)toluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(tert-butyl)toluene?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(tert-butyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.