Vinyl tert-decanoate
TL;DR: Vinyl tert-decanoate (CAS 21090-11-9) 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 7,7-dimethyloctanoate
Also Known As: Vinyl neodecanoate, ethenyl 7,7-dimethyloctanoate, Vinyl tert-decanoate, Vinyl 7,7-dimethyloctanoate, vinyl neo-decanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.2 |
| 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 | 177.0 |
Chemical Identifiers
| CAS Number | 21090-11-9 |
|---|---|
| SMILES | CC(C)(C)CCCCCC(=O)OC=C |
| InChIKey | TVFJAZCVMOXQRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl tert-decanoate (CAS 21090-11-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethenyl 7,7-dimethyloctanoate.
Chemical Property Profile of Vinyl tert-decanoate
Property Insights of Vinyl tert-decanoate
The XLogP value of 4.2 indicates that Vinyl tert-decanoate 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 tert-decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl tert-decanoate 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 tert-decanoate?
The CAS number of Vinyl tert-decanoate is 21090-11-9.
What is the molecular formula of Vinyl tert-decanoate?
The molecular formula of Vinyl tert-decanoate is C12H22O2.
What is the molecular weight of Vinyl tert-decanoate?
The molecular weight of Vinyl tert-decanoate is 198.16 g/mol.
Where can I buy Vinyl tert-decanoate?
You can request a quote for Vinyl tert-decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl tert-decanoate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl tert-decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.