Cycloocta-1,3-dien-6-yne
TL;DR: Cycloocta-1,3-dien-6-yne (CAS 80339-91-9) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z,3Z)-cycloocta-1,3-dien-6-yne
Also Known As: Cycloocta-1,3-dien-6-yne, 1,3-Cyclooctadien-6-yne, 1,3-cyclooctadiene-6-yne, (1Z,3Z)-cycloocta-1,3-dien-6-yne
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 1.896 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 144.21266 |
Chemical Identifiers
| CAS Number | 80339-91-9 |
|---|---|
| SMILES | C\1C#CC/C=C\C=C1 |
Product Overview
Cycloocta-1,3-dien-6-yne (CAS 80339-91-9), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: (1Z,3Z)-cycloocta-1,3-dien-6-yne.
Chemical Property Profile of Cycloocta-1,3-dien-6-yne
Property Insights of Cycloocta-1,3-dien-6-yne
The XLogP value of 1.896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloocta-1,3-dien-6-yne. With a topological polar surface area (TPSA) of 0.0 Ų, Cycloocta-1,3-dien-6-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloocta-1,3-dien-6-yne 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 Cycloocta-1,3-dien-6-yne?
The CAS number of Cycloocta-1,3-dien-6-yne is 80339-91-9.
What is the molecular formula of Cycloocta-1,3-dien-6-yne?
The molecular formula of Cycloocta-1,3-dien-6-yne is C8H8.
What is the molecular weight of Cycloocta-1,3-dien-6-yne?
The molecular weight of Cycloocta-1,3-dien-6-yne is 104.06 g/mol.
Where can I buy Cycloocta-1,3-dien-6-yne?
You can request a quote for Cycloocta-1,3-dien-6-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloocta-1,3-dien-6-yne?
Yes, KEHONG BIO provides custom synthesis services for Cycloocta-1,3-dien-6-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.