2,4,6-Octatriyne
TL;DR: 2,4,6-Octatriyne (CAS 1072-20-4) is a chemical compound with molecular formula CC#CC#CC#CC and molecular weight 102.04695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octa-2,4,6-triyne
Also Known As: 2,4,6-Octatriyne, octa-2,4,6-triyne, Dimethyltriacetylen, J1.870.808F, J2.159.287K
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC#CC#CC#CC |
| Molecular Weight | 102.04695 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.04695 Da |
| Heavy Atoms | 8 |
| Complexity | 216.0 |
| SMILES | CC#CC#CC#CC |
| InChIKey | JINAOWUNDFEJHT-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Octatriyne
Property Insights of 2,4,6-Octatriyne
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Octatriyne. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,6-Octatriyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Octatriyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Octatriyne?
The CAS number of 2,4,6-Octatriyne is 1072-20-4.
What is the molecular formula of 2,4,6-Octatriyne?
The molecular formula of 2,4,6-Octatriyne is CC#CC#CC#CC.
What is the molecular weight of 2,4,6-Octatriyne?
The molecular weight of 2,4,6-Octatriyne is 102.04695 g/mol.
Where can I buy 2,4,6-Octatriyne?
You can request a quote for 2,4,6-Octatriyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Octatriyne?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Octatriyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.