4-Ethylcyclohexanone
TL;DR: 4-Ethylcyclohexanone (CAS 5441-51-0) 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.
4-ethylcyclohexan-1-one
Also Known As: 4-Ethylcyclohexanone, Cyclohexanone, 4-ethyl-, 4-ethylcyclohexan-1-one, 4-Ethyl-cyclohexanone, 4beta-Ethylcyclohexanone
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 5441-51-0 |
|---|---|
| SMILES | CCC1CCC(=O)CC1 |
| InChIKey | OKSDJGWHKXFVME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylcyclohexanone (CAS 5441-51-0), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 4-ethylcyclohexan-1-one.
Chemical Property Profile of 4-Ethylcyclohexanone
Property Insights of 4-Ethylcyclohexanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylcyclohexanone 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-Ethylcyclohexanone?
The CAS number of 4-Ethylcyclohexanone is 5441-51-0.
What is the molecular formula of 4-Ethylcyclohexanone?
The molecular formula of 4-Ethylcyclohexanone is C8H14O.
What is the molecular weight of 4-Ethylcyclohexanone?
The molecular weight of 4-Ethylcyclohexanone is 126.10 g/mol.
Where can I buy 4-Ethylcyclohexanone?
You can request a quote for 4-Ethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.