Nonyl isovalerate
TL;DR: Nonyl isovalerate (CAS 7786-47-2) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 3-methylbutanoate
Also Known As: Nonyl isovalerate, Nonyl 3-methylbutanoate, Nonyl isopentanoate, Nonyl isovalerianate, Isovaleric acid, nonyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.3263 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 164.11827 |
Chemical Identifiers
| CAS Number | 7786-47-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CC(C)C |
Product Overview
Nonyl isovalerate (CAS 7786-47-2), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: nonyl 3-methylbutanoate.
Chemical Property Profile of Nonyl isovalerate
Property Insights of Nonyl isovalerate
The XLogP value of 4.3263 indicates that Nonyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl isovalerate 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 Nonyl isovalerate?
The CAS number of Nonyl isovalerate is 7786-47-2.
What is the molecular formula of Nonyl isovalerate?
The molecular formula of Nonyl isovalerate is C14H28O2.
What is the molecular weight of Nonyl isovalerate?
The molecular weight of Nonyl isovalerate is 228.21 g/mol.
Where can I buy Nonyl isovalerate?
You can request a quote for Nonyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.