3-Methyl-1-octyn-3-ol
TL;DR: 3-Methyl-1-octyn-3-ol (CAS 23580-51-0) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyloct-1-yn-3-ol
Also Known As: 3-Methyl-1-octyn-3-ol, 3-Methyloct-1-yn-3-ol, 1-Octyn-3-ol, 3-methyl-, 1Octyn3ol, 3methyl, nAmyl ethynyl methyl carbinol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| SMILES | CCCCCC(C)(C#C)O |
| InChIKey | ZBDMJPAJZFSKPR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-1-octyn-3-ol
Property Insights of 3-Methyl-1-octyn-3-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-octyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-1-octyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-octyn-3-ol 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 3-Methyl-1-octyn-3-ol?
The CAS number of 3-Methyl-1-octyn-3-ol is 23580-51-0.
What is the molecular formula of 3-Methyl-1-octyn-3-ol?
The molecular formula of 3-Methyl-1-octyn-3-ol is C9H16O.
What is the molecular weight of 3-Methyl-1-octyn-3-ol?
The molecular weight of 3-Methyl-1-octyn-3-ol is 140.12012 g/mol.
Where can I buy 3-Methyl-1-octyn-3-ol?
You can request a quote for 3-Methyl-1-octyn-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-1-octyn-3-ol?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-1-octyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.