4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
TL;DR: 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one (CAS 51051-65-1) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one, ETHYL HAGEMANN'S ESTER, ethyl 3-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate, ethyl 3-ethyl-2-methyl-4-oxocyclohex-2-enecarboxylate, Boc-3-amino-1,2,3,4-tetrahydroquinoline
Technical Specifications
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.1256 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.1256 Da |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
| SMILES | CCC1=C(C(CCC1=O)C(=O)OCC)C |
| InChIKey | IEYKXGXKWXIBIG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
Property Insights of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one has 0 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 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one?
The CAS number of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one is 51051-65-1.
What is the molecular formula of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one?
The molecular formula of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one is C12H18O3.
What is the molecular weight of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one?
The molecular weight of 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one is 210.1256 g/mol.
Where can I buy 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one?
You can request a quote for 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.