2-Ethoxycyclohex-2-en-1-one
TL;DR: 2-Ethoxycyclohex-2-en-1-one (CAS 29941-82-0) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethoxycyclohex-2-en-1-one
Also Known As: 2-Ethoxycyclohex-2-en-1-one, 2-ethoxycyclohex-2-enone, 2-Ethoxy-cyclohex-2-enone, null, Ethoxycyclohexenon
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.08372 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 Da |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
| SMILES | CCOC1=CCCCC1=O |
| InChIKey | PJLUWPNLDKJSCF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethoxycyclohex-2-en-1-one
Property Insights of 2-Ethoxycyclohex-2-en-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxycyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethoxycyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxycyclohex-2-en-1-one 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 2-Ethoxycyclohex-2-en-1-one?
The CAS number of 2-Ethoxycyclohex-2-en-1-one is 29941-82-0.
What is the molecular formula of 2-Ethoxycyclohex-2-en-1-one?
The molecular formula of 2-Ethoxycyclohex-2-en-1-one is C8H12O2.
What is the molecular weight of 2-Ethoxycyclohex-2-en-1-one?
The molecular weight of 2-Ethoxycyclohex-2-en-1-one is 140.08372 g/mol.
Where can I buy 2-Ethoxycyclohex-2-en-1-one?
You can request a quote for 2-Ethoxycyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethoxycyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Ethoxycyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.