Isobutyl(metha)acrylate
TL;DR: Isobutyl(metha)acrylate (CAS 158576-95-5) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethylhex-2-enoic acid
Also Known As: isobutyl(metha)acrylate, 2,5-dimethylhex-2-enoic acid, 2-Hexenoic acid,2,5-dimethyl-,(2E), 2-Hexenoic acid, 2,5-dimethyl-, (2E)-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
| SMILES | CC(C)CC=C(C)C(=O)O |
| InChIKey | BLCHIKLQYBVYAF-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl(metha)acrylate
Property Insights of Isobutyl(metha)acrylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl(metha)acrylate. With a topological polar surface area (TPSA) of 37.3 Ų, Isobutyl(metha)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl(metha)acrylate has 1 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 Isobutyl(metha)acrylate?
The CAS number of Isobutyl(metha)acrylate is 158576-95-5.
What is the molecular formula of Isobutyl(metha)acrylate?
The molecular formula of Isobutyl(metha)acrylate is C8H14O2.
What is the molecular weight of Isobutyl(metha)acrylate?
The molecular weight of Isobutyl(metha)acrylate is 142.09938 g/mol.
Where can I buy Isobutyl(metha)acrylate?
You can request a quote for Isobutyl(metha)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl(metha)acrylate?
Yes, CoreyChem provides custom synthesis services for Isobutyl(metha)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.