Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
TL;DR: Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- (CAS 41613-59-6) is a chemical compound with molecular formula C11H18O and molecular weight 166.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethynyl-2,2,6-trimethylcyclohexan-1-ol
Also Known As: 1-ethynyl-2,2,6-trimethylcyclohexanol, 1-ethynyl-2,2,6-trimethylcyclohexan-1-ol, Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, LABOTEST-BB LT01148537, Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H18O |
| Molecular Weight | 166.13577 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 Da |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
| SMILES | CC1CCCC(C1(C#C)O)(C)C |
| InChIKey | PQQOQXUYGRGYEK-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
Property Insights of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-. With a topological polar surface area (TPSA) of 20.2 Ų, Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- 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
What is the CAS number of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-?
The CAS number of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- is 41613-59-6.
What is the molecular formula of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-?
The molecular formula of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- is C11H18O.
What is the molecular weight of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-?
The molecular weight of Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- is 166.13577 g/mol.
Where can I buy Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-?
You can request a quote for Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-?
Yes, CoreyChem provides custom synthesis services for Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.