Cyclooct-1-en-5-yne
TL;DR: Cyclooct-1-en-5-yne (CAS 68177-00-4) is a chemical compound with molecular formula C8H10 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooct-1-en-5-yne
Also Known As: 1-Cycloocten-5-yne, cyclooct-1-en-5-yne, 1-Cycloocten-5-yne, (Z)-
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 106.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 68177-00-4 |
|---|---|
| SMILES | C1CC#CCCC=C1 |
| InChIKey | TZIKXLXKOIRQBI-UHFFFAOYSA-N |
Product Overview
Cyclooct-1-en-5-yne (CAS 68177-00-4), with molecular formula C8H10 and molecular weight 106.08 g/mol. IUPAC: cyclooct-1-en-5-yne.
Chemical Property Profile of Cyclooct-1-en-5-yne
Property Insights of Cyclooct-1-en-5-yne
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooct-1-en-5-yne. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclooct-1-en-5-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooct-1-en-5-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 Cyclooct-1-en-5-yne?
The CAS number of Cyclooct-1-en-5-yne is 68177-00-4.
What is the molecular formula of Cyclooct-1-en-5-yne?
The molecular formula of Cyclooct-1-en-5-yne is C8H10.
What is the molecular weight of Cyclooct-1-en-5-yne?
The molecular weight of Cyclooct-1-en-5-yne is 106.08 g/mol.
Where can I buy Cyclooct-1-en-5-yne?
You can request a quote for Cyclooct-1-en-5-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooct-1-en-5-yne?
Yes, KEHONG BIO provides custom synthesis services for Cyclooct-1-en-5-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.