Ethyl oct-3-enoate
TL;DR: Ethyl oct-3-enoate (CAS 69668-87-7) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl oct-3-enoate
Also Known As: Ethyl oct-3-enoate, Ethyl 3-octenoate, 3-Octenoic acid, ethyl ester, Ethyl oct-2-enoate, Ethyl 3-octenoic acid
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| Density | 0.881-0.887 |
| Solubility | Insoluble in water; soluble in most organic solvents |
| Refractive Index | 1.434-1.438 |
Chemical Identifiers
| CAS Number | 69668-87-7 |
|---|---|
| SMILES | CCCCC=CCC(=O)OCC |
| InChIKey | BCMYNNIPTQUKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl oct-3-enoate (CAS 69668-87-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: ethyl oct-3-enoate.
Chemical Property Profile of Ethyl oct-3-enoate
Property Insights of Ethyl oct-3-enoate
The XLogP value of 3.0 indicates that Ethyl oct-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl oct-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl oct-3-enoate 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 Ethyl oct-3-enoate?
The CAS number of Ethyl oct-3-enoate is 69668-87-7.
What is the molecular formula of Ethyl oct-3-enoate?
The molecular formula of Ethyl oct-3-enoate is C10H18O2.
What is the molecular weight of Ethyl oct-3-enoate?
The molecular weight of Ethyl oct-3-enoate is 170.13 g/mol.
Where can I buy Ethyl oct-3-enoate?
You can request a quote for Ethyl oct-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl oct-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl oct-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.