3-Cyclohexene-1-carboxylic acid, ethyl ester
TL;DR: 3-Cyclohexene-1-carboxylic acid, ethyl ester (CAS 15111-56-5) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl cyclohex-3-ene-1-carboxylate
Also Known As: Ethyl cyclohex-3-ene-1-carboxylate, ginsene, Ethyl 3-cyclohexene-1-carboxylate, Ethyl 3-cyclohexenecarboxylate, 3-Cyclohexene-1-carboxylic acid, ethyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.09938 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 Da |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
| SMILES | CCOC(=O)C1CCC=CC1 |
| InChIKey | BYNLHLLOIZDKIC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid, ethyl ester
Property Insights of 3-Cyclohexene-1-carboxylic acid, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Cyclohexene-1-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid, ethyl 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 3-Cyclohexene-1-carboxylic acid, ethyl ester?
The CAS number of 3-Cyclohexene-1-carboxylic acid, ethyl ester is 15111-56-5.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid, ethyl ester?
The molecular formula of 3-Cyclohexene-1-carboxylic acid, ethyl ester is C9H14O2.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid, ethyl ester?
The molecular weight of 3-Cyclohexene-1-carboxylic acid, ethyl ester is 154.09938 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid, ethyl ester?
You can request a quote for 3-Cyclohexene-1-carboxylic acid, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexene-1-carboxylic acid, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.