Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
TL;DR: Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate (CAS 51769-11-0) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
Also Known As: Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate, Ethyl 2,6,6-trimethyl-4-hydroxy-2-cyclohexene-1-carboxylate, 2-Cyclohexene-1-carboxylic acic, 4-hydroxy-2,6,6-trimethyl-, ethyl ester, 4-Hydroxy-2,6,6-trimethyl-2-cyclohexene-1-carboxylic acid ethyl ester, EINECS 257-402-6
Technical Specifications
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | CCOC(=O)C1C(=CC(CC1(C)C)O)C |
| InChIKey | VBHJRLVIPZBBRT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
Property Insights of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate?
The CAS number of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate is 51769-11-0.
What is the molecular formula of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate?
The molecular formula of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate is C12H20O3.
What is the molecular weight of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate?
The molecular weight of Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate is 212.14125 g/mol.
Where can I buy Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate?
You can request a quote for Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.