3,6-Dimethyl-4-octyne-3,6-diol
TL;DR: 3,6-Dimethyl-4-octyne-3,6-diol (CAS 78-66-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethyloct-4-yne-3,6-diol
Also Known As: 3,6-Dimethyloct-4-yne-3,6-diol, 3,6-Dimethyl-4-octyne-3,6-diol, Surfynol 82, Surfynol 85, 3,6-Dimethyl-4-octyn-3,6-diol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | CCC(C)(C#CC(C)(CC)O)O |
| InChIKey | NUYADIDKTLPDGG-UHFFFAOYSA-N |
Product Description
Applications: 3,6-Dimethyl-4-octyne-3,6-diol is used in coating, adhesive, and surface treatment formulations, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A coating and adhesive raw material supplied by CoreyChem, 3,6-Dimethyl-4-octyne-3,6-diol (CAS 78-66-0) has the molecular formula C10H18O2 and a molecular weight of 170.13 g/mol. Synonyms include 3,6-Dimethyloct-4-yne-3,6-diol and 3,6-Dimethyl-4-octyne-3,6-diol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,6-Dimethyl-4-octyne-3,6-diol
Property Insights of 3,6-Dimethyl-4-octyne-3,6-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-4-octyne-3,6-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,6-Dimethyl-4-octyne-3,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-4-octyne-3,6-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,6-Dimethyl-4-octyne-3,6-diol?
The CAS number of 3,6-Dimethyl-4-octyne-3,6-diol is 78-66-0.
What is the molecular formula of 3,6-Dimethyl-4-octyne-3,6-diol?
The molecular formula of 3,6-Dimethyl-4-octyne-3,6-diol is C10H18O2.
What is the molecular weight of 3,6-Dimethyl-4-octyne-3,6-diol?
The molecular weight of 3,6-Dimethyl-4-octyne-3,6-diol is 170.13068 g/mol.
What are the applications of 3,6-Dimethyl-4-octyne-3,6-diol?
3,6-Dimethyl-4-octyne-3,6-diol is used in coating, adhesive, and surface treatment formulations, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3,6-Dimethyl-4-octyne-3,6-diol?
You can request a quote for 3,6-Dimethyl-4-octyne-3,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Dimethyl-4-octyne-3,6-diol?
Yes, CoreyChem provides custom synthesis services for 3,6-Dimethyl-4-octyne-3,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.