cis-3-Hexen-1-yl 2-Octynoate
TL;DR: cis-3-Hexen-1-yl 2-Octynoate (CAS 68698-58-8) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl oct-2-ynoate
Also Known As: cis-3-Hexenyl 2-octynoate, cis-3-Hexen-1-yl 2-Octynoate, (Z)-3-Hexenyl oct-2-ynoate, hex-3-en-1-yl oct-2-ynoate, cis-3-Hexenyl heptine carbonate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 68698-58-8 |
|---|---|
| SMILES | CCCCCC#CC(=O)OCCC=CCC |
| InChIKey | ANJQMBWSXVCLTG-UHFFFAOYSA-N |
Product Overview
cis-3-Hexen-1-yl 2-Octynoate (CAS 68698-58-8), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: hex-3-enyl oct-2-ynoate.
Chemical Property Profile of cis-3-Hexen-1-yl 2-Octynoate
Property Insights of cis-3-Hexen-1-yl 2-Octynoate
The XLogP value of 4.9 indicates that cis-3-Hexen-1-yl 2-Octynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, cis-3-Hexen-1-yl 2-Octynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3-Hexen-1-yl 2-Octynoate has 0 hydrogen bond donor(s) and 2 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 cis-3-Hexen-1-yl 2-Octynoate?
The CAS number of cis-3-Hexen-1-yl 2-Octynoate is 68698-58-8.
What is the molecular formula of cis-3-Hexen-1-yl 2-Octynoate?
The molecular formula of cis-3-Hexen-1-yl 2-Octynoate is C14H22O2.
What is the molecular weight of cis-3-Hexen-1-yl 2-Octynoate?
The molecular weight of cis-3-Hexen-1-yl 2-Octynoate is 222.16 g/mol.
Where can I buy cis-3-Hexen-1-yl 2-Octynoate?
You can request a quote for cis-3-Hexen-1-yl 2-Octynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-Hexen-1-yl 2-Octynoate?
Yes, KEHONG BIO provides custom synthesis services for cis-3-Hexen-1-yl 2-Octynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.