2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
TL;DR: 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester (CAS 13453-03-7) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,5-trimethylhexyl 2-methylprop-2-enoate
Also Known As: 3,5,5-Trimethylhexyl methacrylate, 3,5,5-trimethylhexyl 2-methylprop-2-enoate, 3,5,5-Trimethylhexylmethacrylate, 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester, Methacrylic acid, 3,5,5-trimethylhexyl ester
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.17763 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.17763 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CC(CCOC(=O)C(=C)C)CC(C)(C)C |
| InChIKey | BBPSWYWJFWHIHC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
Property Insights of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
The XLogP value of 5.0 indicates that 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl 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-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The CAS number of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is 13453-03-7.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The molecular formula of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is C13H24O2.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The molecular weight of 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is 212.17763 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
You can request a quote for 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.