Cyclohexanone, 3-ethyl-3,5,5-trimethyl-
TL;DR: Cyclohexanone, 3-ethyl-3,5,5-trimethyl- (CAS 167226-01-9) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3,5,5-trimethylcyclohexan-1-one
Also Known As: 3-Ethyl-3,5,5-trimethylcyclohexanone, 3-Ethyl-3,5,5-trimethylcyclohexanone #, 3-ethyl-3,5,5-trimethylcyclohexan-1-one, Cyclohexanone, 3-ethyl-3,5,5-trimethyl-
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 167226-01-9 |
|---|---|
| SMILES | CCC1(CC(=O)CC(C1)(C)C)C |
| InChIKey | FQCSWWXRWLUNLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 3-ethyl-3,5,5-trimethyl- (CAS 167226-01-9), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 3-ethyl-3,5,5-trimethylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 3-ethyl-3,5,5-trimethyl-
Property Insights of Cyclohexanone, 3-ethyl-3,5,5-trimethyl-
The XLogP value of 3.1 indicates that Cyclohexanone, 3-ethyl-3,5,5-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 3-ethyl-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 3-ethyl-3,5,5-trimethyl- 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 Cyclohexanone, 3-ethyl-3,5,5-trimethyl-?
The CAS number of Cyclohexanone, 3-ethyl-3,5,5-trimethyl- is 167226-01-9.
What is the molecular formula of Cyclohexanone, 3-ethyl-3,5,5-trimethyl-?
The molecular formula of Cyclohexanone, 3-ethyl-3,5,5-trimethyl- is C11H20O.
What is the molecular weight of Cyclohexanone, 3-ethyl-3,5,5-trimethyl-?
The molecular weight of Cyclohexanone, 3-ethyl-3,5,5-trimethyl- is 168.15 g/mol.
Where can I buy Cyclohexanone, 3-ethyl-3,5,5-trimethyl-?
You can request a quote for Cyclohexanone, 3-ethyl-3,5,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 3-ethyl-3,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 3-ethyl-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.