1,3,5-Octatriene
TL;DR: 1,3,5-Octatriene (CAS 40087-61-4) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E)-octa-1,3,5-triene
Also Known As: 1,3,5-Octatriene, fucoserratene, Octatriene, octa-1,3,5-triene, 1,3E,5E-Octatriene
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 2.6948 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 96.605934 |
Chemical Identifiers
| CAS Number | 40087-61-4 |
|---|---|
| SMILES | CC/C=C/C=C/C=C |
Product Overview
1,3,5-Octatriene (CAS 40087-61-4), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: (3E,5E)-octa-1,3,5-triene.
Chemical Property Profile of 1,3,5-Octatriene
Property Insights of 1,3,5-Octatriene
The XLogP value of 2.6948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Octatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Octatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Octatriene 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
Frequently Asked Questions
What is the CAS number of 1,3,5-Octatriene?
The CAS number of 1,3,5-Octatriene is 40087-61-4.
What is the molecular formula of 1,3,5-Octatriene?
The molecular formula of 1,3,5-Octatriene is C8H12.
What is the molecular weight of 1,3,5-Octatriene?
The molecular weight of 1,3,5-Octatriene is 108.09 g/mol.
Where can I buy 1,3,5-Octatriene?
You can request a quote for 1,3,5-Octatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Octatriene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Octatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.