4-Tert-butyl-1-n-butylbenzene
TL;DR: 4-Tert-butyl-1-n-butylbenzene (CAS 14011-00-8) is a chemical compound with molecular formula C14H22 and molecular weight 190.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-4-tert-butylbenzene
Also Known As: t-butyl-4-butylbenzene, 1-butyl-4-tert-butylbenzene, 4-tert-butyl-1-n-butylbenzene, 1-t-butyl-4-n-butylbenzene, 1-tert-Butyl-4-butylbenzene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22 |
| Molecular Weight | 190.17215 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.17215 Da |
| Heavy Atoms | 14 |
| Complexity | 144.0 |
| SMILES | CCCCC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | BDSMPLDBKOVNHW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Tert-butyl-1-n-butylbenzene
Property Insights of 4-Tert-butyl-1-n-butylbenzene
The XLogP value of 5.5 indicates that 4-Tert-butyl-1-n-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Tert-butyl-1-n-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-1-n-butylbenzene 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 4-Tert-butyl-1-n-butylbenzene?
The CAS number of 4-Tert-butyl-1-n-butylbenzene is 14011-00-8.
What is the molecular formula of 4-Tert-butyl-1-n-butylbenzene?
The molecular formula of 4-Tert-butyl-1-n-butylbenzene is C14H22.
What is the molecular weight of 4-Tert-butyl-1-n-butylbenzene?
The molecular weight of 4-Tert-butyl-1-n-butylbenzene is 190.17215 g/mol.
Where can I buy 4-Tert-butyl-1-n-butylbenzene?
You can request a quote for 4-Tert-butyl-1-n-butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-butyl-1-n-butylbenzene?
Yes, CoreyChem provides custom synthesis services for 4-Tert-butyl-1-n-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.