2-Butenoic acid, 2-methyl-2-propen-1-yl ester
TL;DR: 2-Butenoic acid, 2-methyl-2-propen-1-yl ester (CAS 27819-09-6) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylprop-2-enyl but-2-enoate
Also Known As: 2-Methylallyl 2-butenoate, 2-methylprop-2-enyl but-2-enoate, 2-Butenoic acid, 2-methyl-2-propen-1-yl ester, 2-Butenoic acid,2-methyl-2-propen-1-yl ester, 2-METHYLPROP-2-EN-1-YL BUT-2-ENOATE
Technical Specifications
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.08372 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 | 140.08372 Da |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
| SMILES | CC=CC(=O)OCC(=C)C |
| InChIKey | WKMKXWTZXKHHBV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester
Property Insights of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-2-propen-1-yl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2-methyl-2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-2-propen-1-yl ester 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 2-Butenoic acid, 2-methyl-2-propen-1-yl ester?
The CAS number of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester is 27819-09-6.
What is the molecular formula of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester?
The molecular formula of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester is C8H12O2.
What is the molecular weight of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester?
The molecular weight of 2-Butenoic acid, 2-methyl-2-propen-1-yl ester is 140.08372 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-2-propen-1-yl ester?
You can request a quote for 2-Butenoic acid, 2-methyl-2-propen-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 2-methyl-2-propen-1-yl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 2-methyl-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.