4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one
TL;DR: 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one (CAS 17622-46-7) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3,4-dimethylcyclohex-2-en-1-one
Also Known As: 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one, 4-ethyl-3,4-dimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 4-ethyl-3,4-dimethyl-, 4-ethyl-3,4-dimethylcyclohex-2-enone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 17622-46-7 |
|---|---|
| SMILES | CCC1(CCC(=O)C=C1C)C |
| InChIKey | LVBPXRKIGDMCEV-UHFFFAOYSA-N |
Product Overview
4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one (CAS 17622-46-7), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 4-ethyl-3,4-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one
Property Insights of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one 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-3,4-dimethyl-2-cyclohexen-1-one?
The CAS number of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one is 17622-46-7.
What is the molecular formula of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one?
The molecular formula of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one is C10H16O.
What is the molecular weight of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one?
The molecular weight of 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one is 152.12 g/mol.
Where can I buy 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one?
You can request a quote for 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.