1-Ethynyl-3,3,5-trimethylcyclohexanol
TL;DR: 1-Ethynyl-3,3,5-trimethylcyclohexanol (CAS 90793-81-0) 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.
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol
Also Known As: 1-ethynyl-3,3,5-trimethylcyclohexan-1-ol, 1-ethynyl-3,3,5-trimethylcyclohexanol, 1-ethynyl-3,3,5-trimethyl-cyclohexanol, 1-Hydroxy-1-ethynyl-3,3,5-trimethyl-cyclohexane, RefChem:230435
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 90793-81-0 |
|---|---|
| SMILES | CC1CC(CC(C1)(C#C)O)(C)C |
| InChIKey | RYPNPJHJLHWROV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynyl-3,3,5-trimethylcyclohexanol (CAS 90793-81-0), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 1-ethynyl-3,3,5-trimethylcyclohexan-1-ol.
Chemical Property Profile of 1-Ethynyl-3,3,5-trimethylcyclohexanol
Property Insights of 1-Ethynyl-3,3,5-trimethylcyclohexanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-3,3,5-trimethylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Ethynyl-3,3,5-trimethylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-3,3,5-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 1-Ethynyl-3,3,5-trimethylcyclohexanol?
The CAS number of 1-Ethynyl-3,3,5-trimethylcyclohexanol is 90793-81-0.
What is the molecular formula of 1-Ethynyl-3,3,5-trimethylcyclohexanol?
The molecular formula of 1-Ethynyl-3,3,5-trimethylcyclohexanol is C11H18O.
What is the molecular weight of 1-Ethynyl-3,3,5-trimethylcyclohexanol?
The molecular weight of 1-Ethynyl-3,3,5-trimethylcyclohexanol is 166.14 g/mol.
Where can I buy 1-Ethynyl-3,3,5-trimethylcyclohexanol?
You can request a quote for 1-Ethynyl-3,3,5-trimethylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-3,3,5-trimethylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-3,3,5-trimethylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.