Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate
TL;DR: Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate (CAS 15356-72-6) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate
Also Known As: Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate, methyl 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate, methyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-enoate, 2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, methyl ester, 2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,methyl ester
Technical Specifications
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.14633 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=O)OC |
| InChIKey | RJLVIISLNKAFCY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate
Property Insights of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate
The XLogP value of 3.1 indicates that Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate 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 Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate?
The CAS number of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate is 15356-72-6.
What is the molecular formula of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate?
The molecular formula of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate is C13H20O2.
What is the molecular weight of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate?
The molecular weight of Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate is 208.14633 g/mol.
Where can I buy Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate?
You can request a quote for Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.