3,5-Octadiyne
TL;DR: 3,5-Octadiyne (CAS 16387-70-5) is a chemical compound with molecular formula C8H10 and molecular weight 106.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octa-3,5-diyne
Also Known As: 3,5-Octadiyne, octa-3,5-diyne, Diethyldiacetylene, Octa-3,5-diin, 678-316-9
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10 |
| Molecular Weight | 106.07825 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.07825 Da |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
| SMILES | CCC#CC#CCC |
| InChIKey | LILZEAJBVQOINI-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Octadiyne
Property Insights of 3,5-Octadiyne
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Octadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Octadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Octadiyne 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 3,5-Octadiyne?
The CAS number of 3,5-Octadiyne is 16387-70-5.
What is the molecular formula of 3,5-Octadiyne?
The molecular formula of 3,5-Octadiyne is C8H10.
What is the molecular weight of 3,5-Octadiyne?
The molecular weight of 3,5-Octadiyne is 106.07825 g/mol.
Where can I buy 3,5-Octadiyne?
You can request a quote for 3,5-Octadiyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Octadiyne?
Yes, CoreyChem provides custom synthesis services for 3,5-Octadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.