Vinyl 2-ethylhexanoate
TL;DR: Vinyl 2-ethylhexanoate (CAS 94-04-2) 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 2-ethylhexanoate
Also Known As: VINYL 2-ETHYLHEXANOATE, 2-Ethylhexanoic Acid Vinyl Ester, ethenyl 2-ethylhexanoate, Vynate 2EH, Vinyl 2-ethylhexoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.5 |
| 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 | 141.0 |
Chemical Identifiers
| CAS Number | 94-04-2 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC=C |
| InChIKey | IGBZOHMCHDADGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl 2-ethylhexanoate (CAS 94-04-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: ethenyl 2-ethylhexanoate.
Chemical Property Profile of Vinyl 2-ethylhexanoate
Property Insights of Vinyl 2-ethylhexanoate
The XLogP value of 3.5 indicates that Vinyl 2-ethylhexanoate 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 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 2-ethylhexanoate 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 2-ethylhexanoate?
The CAS number of Vinyl 2-ethylhexanoate is 94-04-2.
What is the molecular formula of Vinyl 2-ethylhexanoate?
The molecular formula of Vinyl 2-ethylhexanoate is C10H18O2.
What is the molecular weight of Vinyl 2-ethylhexanoate?
The molecular weight of Vinyl 2-ethylhexanoate is 170.13 g/mol.
Where can I buy Vinyl 2-ethylhexanoate?
You can request a quote for Vinyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.