2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- (CAS 65416-17-3) 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.
3,5-diethyl-2,6-dimethylcyclohex-2-en-1-one
Also Known As: 3,5-Diethyl-2,6-dimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-, 1,3-Diethyl-4,6-dimethyl-6-cyclohexen-5-one, 3,5-Diethyl-2,6-dimethyl-2-cyclohexen-1-one, Propanoic acid,2-methyl-,3-methyl-3-penten-1-yl ester
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.2 |
| 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 | 65416-17-3 |
|---|---|
| SMILES | CCC1CC(=C(C(=O)C1C)C)CC |
| InChIKey | QPWHFFFXFHDUMZ-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- (CAS 65416-17-3), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 3,5-diethyl-2,6-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-
The XLogP value of 3.2 indicates that 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- 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 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- is 65416-17-3.
What is the molecular formula of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- is C12H20O.
What is the molecular weight of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- is 180.15 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.