(1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone
TL;DR: (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone (CAS 52612-52-9) 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-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethanone
Also Known As: -1- ethanone, EINECS 258-046-4, (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone, EINECS 258-218-9, 1-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethanone
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.0378 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 181.44313 |
Chemical Identifiers
| CAS Number | 52612-52-9 |
|---|---|
| SMILES | C[C@H]1CCCC([C@H]1C(=O)C)(C)C |
Product Overview
(1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone (CAS 52612-52-9), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 1-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethanone.
Chemical Property Profile of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone
Property Insights of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone
The XLogP value of 3.0378 indicates that (1S-cis)-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 17.07 Ų, (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S-cis)-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 (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The CAS number of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone is 52612-52-9.
What is the molecular formula of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The molecular formula of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone is C11H20O.
What is the molecular weight of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone?
The molecular weight of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone is 168.15 g/mol.
Where can I buy (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone?
You can request a quote for (1S-cis)-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 (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.