o-tert-Butylstyrene
TL;DR: o-tert-Butylstyrene (CAS 19789-35-6) is a chemical compound with molecular formula C12H16 and molecular weight 160.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-2-ethenylbenzene
Also Known As: o-tert-Butylstyrene, t-butylstyrene, 1-tert-butyl-2-ethenylbenzene, t-butyl styrene, 2-tert-butylstyrene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16 |
| Molecular Weight | 160.1252 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.1252 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CC(C)(C)C1=CC=CC=C1C=C |
| InChIKey | LUECERFWADIZPD-UHFFFAOYSA-N |
Chemical Property Profile of o-tert-Butylstyrene
Property Insights of o-tert-Butylstyrene
The XLogP value of 4.4 indicates that o-tert-Butylstyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, o-tert-Butylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-tert-Butylstyrene 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 o-tert-Butylstyrene?
The CAS number of o-tert-Butylstyrene is 19789-35-6.
What is the molecular formula of o-tert-Butylstyrene?
The molecular formula of o-tert-Butylstyrene is C12H16.
What is the molecular weight of o-tert-Butylstyrene?
The molecular weight of o-tert-Butylstyrene is 160.1252 g/mol.
Where can I buy o-tert-Butylstyrene?
You can request a quote for o-tert-Butylstyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-tert-Butylstyrene?
Yes, CoreyChem provides custom synthesis services for o-tert-Butylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.