4-Ethynyl-2,6-dimethyl-4-heptanol
TL;DR: 4-Ethynyl-2,6-dimethyl-4-heptanol (CAS 10562-68-2) is a chemical compound with molecular formula C11H20O and molecular weight 168.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethynyl-2,6-dimethylheptan-4-ol
Also Known As: 4-ETHYNYL-2,6-DIMETHYL-4-HEPTANOL, 4-Ethynyl-2,6-dimethylheptan-4-ol, 4-amino-N-propylbenzenesulfonamide, 2,6-Dimethyl-4-ethynyl-4-heptanol, 4-Ethinyl-2,6-dimethylheptan-4-ol
Technical Specifications
| Molecular Formula | C11H20O |
| Molecular Weight | 168.15141 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.15141 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | CC(C)CC(CC(C)C)(C#C)O |
| InChIKey | CSNWKQHTZXPWJS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethynyl-2,6-dimethyl-4-heptanol
Property Insights of 4-Ethynyl-2,6-dimethyl-4-heptanol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynyl-2,6-dimethyl-4-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Ethynyl-2,6-dimethyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-2,6-dimethyl-4-heptanol 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 4-Ethynyl-2,6-dimethyl-4-heptanol?
The CAS number of 4-Ethynyl-2,6-dimethyl-4-heptanol is 10562-68-2.
What is the molecular formula of 4-Ethynyl-2,6-dimethyl-4-heptanol?
The molecular formula of 4-Ethynyl-2,6-dimethyl-4-heptanol is C11H20O.
What is the molecular weight of 4-Ethynyl-2,6-dimethyl-4-heptanol?
The molecular weight of 4-Ethynyl-2,6-dimethyl-4-heptanol is 168.15141 g/mol.
Where can I buy 4-Ethynyl-2,6-dimethyl-4-heptanol?
You can request a quote for 4-Ethynyl-2,6-dimethyl-4-heptanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethynyl-2,6-dimethyl-4-heptanol?
Yes, CoreyChem provides custom synthesis services for 4-Ethynyl-2,6-dimethyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.