(E)-3-Hexenyl octanoate
TL;DR: (E)-3-Hexenyl octanoate (CAS 87619-90-7) 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.
[(E)-hex-3-enyl] octanoate
Also Known As: (E)-3-Hexenyl octanoate, 3-Hexenyl octanoate, 3-Hexen-1-yl octanoate, trans-3-Hexenyl octanoate, 3-Hexenyl octanoate, trans-
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.2464 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 185.17436 |
Chemical Identifiers
| CAS Number | 87619-90-7 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC/C=C/CC |
Product Overview
(E)-3-Hexenyl octanoate (CAS 87619-90-7), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: [(E)-hex-3-enyl] octanoate.
Chemical Property Profile of (E)-3-Hexenyl octanoate
Property Insights of (E)-3-Hexenyl octanoate
The XLogP value of 4.2464 indicates that (E)-3-Hexenyl 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)-3-Hexenyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Hexenyl 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)-3-Hexenyl octanoate?
The CAS number of (E)-3-Hexenyl octanoate is 87619-90-7.
What is the molecular formula of (E)-3-Hexenyl octanoate?
The molecular formula of (E)-3-Hexenyl octanoate is C14H26O2.
What is the molecular weight of (E)-3-Hexenyl octanoate?
The molecular weight of (E)-3-Hexenyl octanoate is 226.19 g/mol.
Where can I buy (E)-3-Hexenyl octanoate?
You can request a quote for (E)-3-Hexenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-Hexenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-Hexenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.