Vinyl pivalate
TL;DR: Vinyl pivalate (CAS 34004-36-9) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2,2-dimethylpropanoate
Also Known As: Vinyl pivalate, Ethenyl 2,2-dimethylpropanoate, Pivalic acid vinyl ester, Vinyl trimethylacetate, Vynate Neo 5
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 34004-36-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC=C |
| InChIKey | YCUBDDIKWLELPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl pivalate (CAS 34004-36-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: ethenyl 2,2-dimethylpropanoate.
Chemical Property Profile of Vinyl pivalate
Property Insights of Vinyl pivalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl pivalate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl pivalate 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 pivalate?
The CAS number of Vinyl pivalate is 34004-36-9.
What is the molecular formula of Vinyl pivalate?
The molecular formula of Vinyl pivalate is C7H12O2.
What is the molecular weight of Vinyl pivalate?
The molecular weight of Vinyl pivalate is 128.08 g/mol.
Where can I buy Vinyl pivalate?
You can request a quote for Vinyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.