2beta,6alpha-Dimethylcyclohexanone
TL;DR: 2beta,6alpha-Dimethylcyclohexanone (CAS 77882-09-8) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(2S,6S)-2,6-dimethylcyclohexan-1-one
Also Known As: 2beta,6alpha-Dimethylcyclohexanone, trans-2,6-dimethylcycxlohexanone, 2,6-DIMETHYLCYCLOHEXANONE, trans-2,6-dimethyl cyclohexanone, (2S,6S)-2,6-dimethylcyclohexan-1-one
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.0116 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 105.736046 |
Chemical Identifiers
| CAS Number | 77882-09-8 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H](C1=O)C |
Product Overview
2beta,6alpha-Dimethylcyclohexanone (CAS 77882-09-8), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: trans-(2S,6S)-2,6-dimethylcyclohexan-1-one.
Chemical Property Profile of 2beta,6alpha-Dimethylcyclohexanone
Property Insights of 2beta,6alpha-Dimethylcyclohexanone
The XLogP value of 2.0116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2beta,6alpha-Dimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2beta,6alpha-Dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2beta,6alpha-Dimethylcyclohexanone 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 2beta,6alpha-Dimethylcyclohexanone?
The CAS number of 2beta,6alpha-Dimethylcyclohexanone is 77882-09-8.
What is the molecular formula of 2beta,6alpha-Dimethylcyclohexanone?
The molecular formula of 2beta,6alpha-Dimethylcyclohexanone is C8H14O.
What is the molecular weight of 2beta,6alpha-Dimethylcyclohexanone?
The molecular weight of 2beta,6alpha-Dimethylcyclohexanone is 126.10 g/mol.
Where can I buy 2beta,6alpha-Dimethylcyclohexanone?
You can request a quote for 2beta,6alpha-Dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2beta,6alpha-Dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2beta,6alpha-Dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.