Hexyl pivalate
TL;DR: Hexyl pivalate (CAS 5434-57-1) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2-dimethylpropanoate
Also Known As: Hexyl pivalate, 1-Hexyl pivalate, Hexyl neopentanoate, Hexyl 2,2-dimethylpropanoate, Pivalic acid, hexyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5434-57-1 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)(C)C |
| InChIKey | RQSINLZXJXXKOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl pivalate (CAS 5434-57-1), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: hexyl 2,2-dimethylpropanoate.
Chemical Property Profile of Hexyl pivalate
Property Insights of Hexyl pivalate
The XLogP value of 3.8 indicates that Hexyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl pivalate?
The CAS number of Hexyl pivalate is 5434-57-1.
What is the molecular formula of Hexyl pivalate?
The molecular formula of Hexyl pivalate is C11H22O2.
What is the molecular weight of Hexyl pivalate?
The molecular weight of Hexyl pivalate is 186.16 g/mol.
Where can I buy Hexyl pivalate?
You can request a quote for Hexyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.