(S)-2,2,6-Trimethylcyclohexanone
TL;DR: (S)-2,2,6-Trimethylcyclohexanone (CAS 106036-02-6) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S)-2,2,6-trimethylcyclohexan-1-one
Also Known As: (S)-2,2,6-Trimethylcyclohexanone, 2,2,6-trimethyl-1-cyclohexanone, 2,2,6-Trimethylcyclohexan-1-one, (S)-2,6,6-Trimethylcyclohexanone, (6S)-2,2,6-trimethylcyclohexan-1-one
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
| SMILES | C[C@H]1CCCC(C1=O)(C)C |
| InChIKey | ZPVOLGVTNLDBFI-ZETCQYMHSA-N |
Chemical Property Profile of (S)-2,2,6-Trimethylcyclohexanone
Property Insights of (S)-2,2,6-Trimethylcyclohexanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2,2,6-Trimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, (S)-2,2,6-Trimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2,2,6-Trimethylcyclohexanone 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
What is the CAS number of (S)-2,2,6-Trimethylcyclohexanone?
The CAS number of (S)-2,2,6-Trimethylcyclohexanone is 106036-02-6.
What is the molecular formula of (S)-2,2,6-Trimethylcyclohexanone?
The molecular formula of (S)-2,2,6-Trimethylcyclohexanone is C9H16O.
What is the molecular weight of (S)-2,2,6-Trimethylcyclohexanone?
The molecular weight of (S)-2,2,6-Trimethylcyclohexanone is 140.12012 g/mol.
Where can I buy (S)-2,2,6-Trimethylcyclohexanone?
You can request a quote for (S)-2,2,6-Trimethylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2,2,6-Trimethylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for (S)-2,2,6-Trimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.