Vinyl neodecanoate
TL;DR: Vinyl neodecanoate (CAS 45115-34-2) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2,2-dimethyloctanoate
Also Known As: Vinyl neodecanoate, ethenyl 2,2-dimethyloctanoate, Vinyl neodecanate, vinyl 2,2-dimethyloctanoate, EXXAR NEO 10
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
| Melting Point | -20.0 °C |
| Flash Point | greater than 79.4 °C |
Chemical Identifiers
| CAS Number | 45115-34-2 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)OC=C |
| InChIKey | ZHXNRJQVYHYIMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl neodecanoate (CAS 45115-34-2), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethenyl 2,2-dimethyloctanoate.
Chemical Property Profile of Vinyl neodecanoate
Property Insights of Vinyl neodecanoate
The XLogP value of 4.5 indicates that Vinyl neodecanoate 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 neodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl neodecanoate 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 neodecanoate?
The CAS number of Vinyl neodecanoate is 45115-34-2.
What is the molecular formula of Vinyl neodecanoate?
The molecular formula of Vinyl neodecanoate is C12H22O2.
What is the molecular weight of Vinyl neodecanoate?
The molecular weight of Vinyl neodecanoate is 198.16 g/mol.
Where can I buy Vinyl neodecanoate?
You can request a quote for Vinyl neodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl neodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl neodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.