Vinyl 4-(1,1-dimethylethyl)benzoate
TL;DR: Vinyl 4-(1,1-dimethylethyl)benzoate (CAS 15484-80-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethenyl 4-tert-butylbenzoate
Also Known As: Vinyl 4-tert-butylbenzoate, 4-tert-Butylbenzoic Acid Vinyl Ester, ethenyl 4-tert-butylbenzoate, VITAMIN K, vinyl 4-(tert-butyl)benzoate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C |
| InChIKey | ZLHVSEPPILCZHH-UHFFFAOYSA-N |
Chemical Property Profile of Vinyl 4-(1,1-dimethylethyl)benzoate
Property Insights of Vinyl 4-(1,1-dimethylethyl)benzoate
The XLogP value of 4.7 indicates that Vinyl 4-(1,1-dimethylethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl 4-(1,1-dimethylethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 4-(1,1-dimethylethyl)benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Vinyl 4-(1,1-dimethylethyl)benzoate?
The CAS number of Vinyl 4-(1,1-dimethylethyl)benzoate is 15484-80-7.
What is the molecular formula of Vinyl 4-(1,1-dimethylethyl)benzoate?
The molecular formula of Vinyl 4-(1,1-dimethylethyl)benzoate is C13H16O2.
What is the molecular weight of Vinyl 4-(1,1-dimethylethyl)benzoate?
The molecular weight of Vinyl 4-(1,1-dimethylethyl)benzoate is 204.11504 g/mol.
Where can I buy Vinyl 4-(1,1-dimethylethyl)benzoate?
You can request a quote for Vinyl 4-(1,1-dimethylethyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vinyl 4-(1,1-dimethylethyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Vinyl 4-(1,1-dimethylethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.