3-Ethoxycyclohexene
TL;DR: 3-Ethoxycyclohexene (CAS 51514-22-8) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxycyclohexene
Also Known As: 3-ethoxycyclohexene, Aethyl-cycloheptan
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 51514-22-8 |
|---|---|
| SMILES | CCOC1CCCC=C1 |
| InChIKey | DOSFUALYLORAFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxycyclohexene (CAS 51514-22-8), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-ethoxycyclohexene.
Chemical Property Profile of 3-Ethoxycyclohexene
Property Insights of 3-Ethoxycyclohexene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxycyclohexene. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Ethoxycyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxycyclohexene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethoxycyclohexene?
The CAS number of 3-Ethoxycyclohexene is 51514-22-8.
What is the molecular formula of 3-Ethoxycyclohexene?
The molecular formula of 3-Ethoxycyclohexene is C8H14O.
What is the molecular weight of 3-Ethoxycyclohexene?
The molecular weight of 3-Ethoxycyclohexene is 126.10 g/mol.
Where can I buy 3-Ethoxycyclohexene?
You can request a quote for 3-Ethoxycyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxycyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxycyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.