![Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate structure](/static/products/127/127996-38-7.webp)
Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate
TL;DR: Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate (CAS 127996-38-7) 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 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate
Also Known As: Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate, 2,3-epoxy-2,6,6-trimethyl-cyclohexanecarboxylic acid ethyl ester, Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate #, ethyl 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptane-5-carboxylate, 7-Oxabicyclo[4.1.0]heptane-2-carboxylic acid, 1,3,3-trimethyl-, ethyl ester, (1.alpha.,2.beta.,6.alpha.)-.+/-.-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | CCOC(=O)C1C(CCC2C1(O2)C)(C)C |
| InChIKey | FJIZVXYXKPIDDZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate
Property Insights of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate 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 Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate?
The CAS number of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate is 127996-38-7.
What is the molecular formula of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate?
The molecular formula of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate is C12H20O3.
What is the molecular weight of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate?
The molecular weight of Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate is 212.14125 g/mol.
Where can I buy Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate?
You can request a quote for Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.