6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-
TL;DR: 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- (CAS 102244-21-3) is a chemical compound with molecular formula C18H32OS and molecular weight 296.21738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,6-trimethyl-1-octylsulfanylhept-6-en-4-yn-3-ol
Also Known As: 2,5,6-Trimethyl-7-octylthiohept-1-en-3-yn-5-ol, 1-(Octylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol, 6-HEPTEN-4-YN-3-OL, 1-(OCTYLTHIO)-2,3,6-TRIMETHYL-, 2,3,6-trimethyl-1-(octylsulfanyl)hept-6-en-4-yn-3-ol, 2,3,6-trimethyl-1-octylsulfanylhept-6-en-4-yn-3-ol
Technical Specifications
| Molecular Formula | C18H32OS |
| Molecular Weight | 296.21738 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 296.21738 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | CCCCCCCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | ODMXGWKISBQVMI-UHFFFAOYSA-N |
Chemical Property Profile of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-
Property Insights of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-
The XLogP value of 6.3 indicates that 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-?
The CAS number of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- is 102244-21-3.
What is the molecular formula of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-?
The molecular formula of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- is C18H32OS.
What is the molecular weight of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-?
The molecular weight of 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- is 296.21738 g/mol.
Where can I buy 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-?
You can request a quote for 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-?
Yes, CoreyChem provides custom synthesis services for 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.