rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol
TL;DR: rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol (CAS 26005-41-4) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,6R)-1-ethynyl-2,2,6-trimethylcyclohexan-1-ol
Also Known As: 1-ethynyl-2,2,6-trimethylcyclohexanol, (1S,6R)-1-ethynyl-2,2,6-trimethylcyclohexan-1-ol, rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol, 1-Ethynyl-2,2,6beta-trimethylcyclohexan-1alpha-ol
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.1969 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 211.53423 |
Chemical Identifiers
| CAS Number | 26005-41-4 |
|---|---|
| SMILES | C[C@@H]1CCCC([C@@]1(C#C)O)(C)C |
Product Overview
rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol (CAS 26005-41-4), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: trans-(1S,6R)-1-ethynyl-2,2,6-trimethylcyclohexan-1-ol.
Chemical Property Profile of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol
Property Insights of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol
The XLogP value of 2.1969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol. With a topological polar surface area (TPSA) of 20.23 Ų, rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol has 1 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 rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol?
The CAS number of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol is 26005-41-4.
What is the molecular formula of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol?
The molecular formula of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol is C11H18O.
What is the molecular weight of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol?
The molecular weight of rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol is 166.14 g/mol.
Where can I buy rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol?
You can request a quote for rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,6S)-1-Ethynyl-2,2,6-trimethylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.