Diethyldimethylcyclohex-2-en-1-one
TL;DR: Diethyldimethylcyclohex-2-en-1-one (CAS 68845-36-3) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diethyl-2,5-dimethylcyclohex-2-en-1-one
Also Known As: Diethyldimethylcyclohex-2-en-1-one, Diethyldimethyl-2-cyclohexenone, 2-Cyclohexen-1-one, diethyldimethyl-, 3,4-diethyl-2,5-dimethylcyclohex-2-en-1-one, Azarbre (3,4- Diethyl-2,5-Dimethyl Cyclohex-2-En-1-One)
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 68845-36-3 |
|---|---|
| SMILES | CCC1C(CC(=O)C(=C1CC)C)C |
| InChIKey | XTLADQIHXKMVGQ-UHFFFAOYSA-N |
Product Overview
Diethyldimethylcyclohex-2-en-1-one (CAS 68845-36-3), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 3,4-diethyl-2,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of Diethyldimethylcyclohex-2-en-1-one
Property Insights of Diethyldimethylcyclohex-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyldimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, Diethyldimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyldimethylcyclohex-2-en-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 Diethyldimethylcyclohex-2-en-1-one?
The CAS number of Diethyldimethylcyclohex-2-en-1-one is 68845-36-3.
What is the molecular formula of Diethyldimethylcyclohex-2-en-1-one?
The molecular formula of Diethyldimethylcyclohex-2-en-1-one is C12H20O.
What is the molecular weight of Diethyldimethylcyclohex-2-en-1-one?
The molecular weight of Diethyldimethylcyclohex-2-en-1-one is 180.15 g/mol.
Where can I buy Diethyldimethylcyclohex-2-en-1-one?
You can request a quote for Diethyldimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyldimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for Diethyldimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.