(E)-2-hexen-1-yl octanoate
TL;DR: (E)-2-hexen-1-yl octanoate (CAS 85554-72-9) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl octanoate
Also Known As: (E)-2-Hexenyl octanoate, (E)-2-hexen-1-yl octanoate, Octanoic acid,2-hexenyl ester, (E)- (9CI)
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 85554-72-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC=CCCC |
| InChIKey | IRUGSDVUJNNIMW-UHFFFAOYSA-N |
Product Overview
(E)-2-hexen-1-yl octanoate (CAS 85554-72-9), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: hex-2-enyl octanoate.
Chemical Property Profile of (E)-2-hexen-1-yl octanoate
Property Insights of (E)-2-hexen-1-yl octanoate
The XLogP value of 5.0 indicates that (E)-2-hexen-1-yl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-2-hexen-1-yl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-hexen-1-yl octanoate 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 (E)-2-hexen-1-yl octanoate?
The CAS number of (E)-2-hexen-1-yl octanoate is 85554-72-9.
What is the molecular formula of (E)-2-hexen-1-yl octanoate?
The molecular formula of (E)-2-hexen-1-yl octanoate is C14H26O2.
What is the molecular weight of (E)-2-hexen-1-yl octanoate?
The molecular weight of (E)-2-hexen-1-yl octanoate is 226.19 g/mol.
Where can I buy (E)-2-hexen-1-yl octanoate?
You can request a quote for (E)-2-hexen-1-yl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-hexen-1-yl octanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-hexen-1-yl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.