4-Ethyl-4-methylcyclohex-2-enone
TL;DR: 4-Ethyl-4-methylcyclohex-2-enone (CAS 17429-32-2) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-4-methylcyclohex-2-en-1-one
Also Known As: 4-Ethyl-4-methylcyclohex-2-enone, 4-ethyl-4-methylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 4-ethyl-4-methyl-, 4-ethyl-4-methyl cyclohexenone, 4-ethyl-4-methyl cyclohex-2-enone
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 17429-32-2 |
|---|---|
| SMILES | CCC1(CCC(=O)C=C1)C |
| InChIKey | XKISVAJSNYSWGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-4-methylcyclohex-2-enone (CAS 17429-32-2), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 4-ethyl-4-methylcyclohex-2-en-1-one.
Chemical Property Profile of 4-Ethyl-4-methylcyclohex-2-enone
Property Insights of 4-Ethyl-4-methylcyclohex-2-enone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-4-methylcyclohex-2-enone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethyl-4-methylcyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-4-methylcyclohex-2-enone 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-Ethyl-4-methylcyclohex-2-enone?
The CAS number of 4-Ethyl-4-methylcyclohex-2-enone is 17429-32-2.
What is the molecular formula of 4-Ethyl-4-methylcyclohex-2-enone?
The molecular formula of 4-Ethyl-4-methylcyclohex-2-enone is C9H14O.
What is the molecular weight of 4-Ethyl-4-methylcyclohex-2-enone?
The molecular weight of 4-Ethyl-4-methylcyclohex-2-enone is 138.10 g/mol.
Where can I buy 4-Ethyl-4-methylcyclohex-2-enone?
You can request a quote for 4-Ethyl-4-methylcyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-4-methylcyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-4-methylcyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.