Propyl 2-methylbut-2-enoate
TL;DR: Propyl 2-methylbut-2-enoate (CAS 53082-57-8) 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.
propyl 2-methylbut-2-enoate
Also Known As: propyl angelate, Propyl tiglate, propyl 2-methylbut-2-enoate, propyl (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, propyl ester
Application Areas
Top 5 of 10 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) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| SMILES | CCCOC(=O)C(=CC)C |
| InChIKey | RZWMDOQSXWAAMC-UHFFFAOYSA-N |
Chemical Property Profile of Propyl 2-methylbut-2-enoate
Property Insights of Propyl 2-methylbut-2-enoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-methylbut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-methylbut-2-enoate 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 Propyl 2-methylbut-2-enoate?
The CAS number of Propyl 2-methylbut-2-enoate is 53082-57-8.
What is the molecular formula of Propyl 2-methylbut-2-enoate?
The molecular formula of Propyl 2-methylbut-2-enoate is C8H14O2.
What is the molecular weight of Propyl 2-methylbut-2-enoate?
The molecular weight of Propyl 2-methylbut-2-enoate is 142.09938 g/mol.
Where can I buy Propyl 2-methylbut-2-enoate?
You can request a quote for Propyl 2-methylbut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl 2-methylbut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Propyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.