Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-
TL;DR: Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- (CAS 52842-34-9) 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.
1-[(1R,6R)-2,2,6-trimethylcyclohexyl]ethanone
Also Known As: cis-1-(2,2,6-Trimethylcyclohexyl)ethanone, (1R-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone, 1-[(1R,6R)-2,2,6-trimethylcyclohexyl]ethanone, Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-, 1-[(1R,6R)-2,2,6-trimethylcyclohexyl]ethan-1-one
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.3 |
| 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 | 181.0 |
Chemical Identifiers
| CAS Number | 52842-34-9 |
|---|---|
| SMILES | C[C@@H]1CCCC([C@@H]1C(=O)C)(C)C |
| InChIKey | LGEFCQRTSXYJAD-SCZZXKLOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- (CAS 52842-34-9), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 1-[(1R,6R)-2,2,6-trimethylcyclohexyl]ethanone.
Chemical Property Profile of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-
Property Insights of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-
The XLogP value of 3.3 indicates that Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- 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 Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-?
The CAS number of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- is 52842-34-9.
What is the molecular formula of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-?
The molecular formula of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- is C11H20O.
What is the molecular weight of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-?
The molecular weight of Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- is 168.15 g/mol.
Where can I buy Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-?
You can request a quote for Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-((1R,6R)-2,2,6-trimethylcyclohexyl)-, rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.