trans-1-(2,2,6-Trimethylcyclohexyl)ethanone
TL;DR: trans-1-(2,2,6-Trimethylcyclohexyl)ethanone (CAS 52842-33-8) 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-[(1S,6R)-2,2,6-trimethylcyclohexyl]ethanone
Also Known As: KST-1B5035, 1-[(1s,6r)-2,2,6-trimethylcyclohexyl]ethanone, trans-1-(2,2,6-Trimethylcyclohexyl)ethanone, (1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone, Ethanone, 1-(2,2,6-trimethylcyclohexyl)-, trans-
| 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 | 52842-33-8 |
|---|---|
| SMILES | C[C@@H]1CCCC([C@H]1C(=O)C)(C)C |
| InChIKey | LGEFCQRTSXYJAD-PSASIEDQSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-1-(2,2,6-Trimethylcyclohexyl)ethanone (CAS 52842-33-8), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 1-[(1S,6R)-2,2,6-trimethylcyclohexyl]ethanone.
Chemical Property Profile of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone
Property Insights of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone
The XLogP value of 3.3 indicates that trans-1-(2,2,6-Trimethylcyclohexyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, trans-1-(2,2,6-Trimethylcyclohexyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-(2,2,6-Trimethylcyclohexyl)ethanone 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 trans-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The CAS number of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone is 52842-33-8.
What is the molecular formula of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The molecular formula of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone is C11H20O.
What is the molecular weight of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The molecular weight of trans-1-(2,2,6-Trimethylcyclohexyl)ethanone is 168.15 g/mol.
Where can I buy trans-1-(2,2,6-Trimethylcyclohexyl)ethanone?
You can request a quote for trans-1-(2,2,6-Trimethylcyclohexyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-(2,2,6-Trimethylcyclohexyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for trans-1-(2,2,6-Trimethylcyclohexyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.