3-Cyclohexenylmethyl 3-cyclohexenecarboxylate
TL;DR: 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate (CAS 2611-00-9) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
Also Known As: Diene 221, Cyclohex-3-en-1-ylmethyl cyclohex-3-enecarboxylate, 3-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl ester, 3-Cyclohexenyl 3-cyclohexene 1-carboxylate, cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.14633 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 Da |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
| Vapor Pressure | 0.001 [mmHg] |
| SMILES | C1CC(CC=C1)COC(=O)C2CCC=CC2 |
| InChIKey | FJPFRSQDAFMEKD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate
Property Insights of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate
The XLogP value of 3.4 indicates that 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate 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-Cyclohexenylmethyl 3-cyclohexenecarboxylate?
The CAS number of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate is 2611-00-9.
What is the molecular formula of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate?
The molecular formula of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate is C14H20O2.
What is the molecular weight of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate?
The molecular weight of 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate is 220.14633 g/mol.
Where can I buy 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate?
You can request a quote for 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.