Vinyl octanoate
TL;DR: Vinyl octanoate (CAS 818-44-0) 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.
ethenyl octanoate
Also Known As: Vinyl octanoate, ethenyl octanoate, Vinyl n-Octanoate, Vinyl caprylate, VINYLN-OCTANOATE
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 818-44-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OC=C |
| InChIKey | QBDADGJLZNIRFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl octanoate (CAS 818-44-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: ethenyl octanoate.
Chemical Property Profile of Vinyl octanoate
Property Insights of Vinyl octanoate
The XLogP value of 3.6 indicates that Vinyl 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, Vinyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 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 Vinyl octanoate?
The CAS number of Vinyl octanoate is 818-44-0.
What is the molecular formula of Vinyl octanoate?
The molecular formula of Vinyl octanoate is C10H18O2.
What is the molecular weight of Vinyl octanoate?
The molecular weight of Vinyl octanoate is 170.13 g/mol.
Where can I buy Vinyl octanoate?
You can request a quote for Vinyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.