4-Ethylcyclohexene oxide
TL;DR: 4-Ethylcyclohexene oxide (CAS 4247-23-8) 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-ethyl-7-oxabicyclo[4.1.0]heptane
Also Known As: 4-ethylcyclohexene oxide, 4-Ethylcyclohexeneoxide, 3-Ethyl-7-oxabicyclo(4.1.0)heptane, 4-ethyl-7-oxabicyclo[4.1.0]heptane, 3-ethyl-7-oxabicyclo[4.1.0]heptane
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 4247-23-8 |
|---|---|
| SMILES | CCC1CCC2C(C1)O2 |
| InChIKey | BCWMBWSIQNQIHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylcyclohexene oxide (CAS 4247-23-8), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-ethyl-7-oxabicyclo[4.1.0]heptane.
Chemical Property Profile of 4-Ethylcyclohexene oxide
Property Insights of 4-Ethylcyclohexene oxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylcyclohexene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, 4-Ethylcyclohexene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylcyclohexene oxide 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 4-Ethylcyclohexene oxide?
The CAS number of 4-Ethylcyclohexene oxide is 4247-23-8.
What is the molecular formula of 4-Ethylcyclohexene oxide?
The molecular formula of 4-Ethylcyclohexene oxide is C8H14O.
What is the molecular weight of 4-Ethylcyclohexene oxide?
The molecular weight of 4-Ethylcyclohexene oxide is 126.10 g/mol.
Where can I buy 4-Ethylcyclohexene oxide?
You can request a quote for 4-Ethylcyclohexene oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylcyclohexene oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylcyclohexene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.