Octyl isovalerate
TL;DR: Octyl isovalerate (CAS 7786-58-5) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-methylbutanoate
Also Known As: Octyl isovalerate, Octyl 3-methylbutanoate, Octyl isopentanoate, Octyl isovalerianate, Octyl 3-methylbutyrate
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7786-58-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(C)C |
| InChIKey | FUBGRVHGQADOJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl isovalerate (CAS 7786-58-5), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: octyl 3-methylbutanoate.
Chemical Property Profile of Octyl isovalerate
Property Insights of Octyl isovalerate
The XLogP value of 4.7 indicates that Octyl 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, Octyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl isovalerate?
The CAS number of Octyl isovalerate is 7786-58-5.
What is the molecular formula of Octyl isovalerate?
The molecular formula of Octyl isovalerate is C13H26O2.
What is the molecular weight of Octyl isovalerate?
The molecular weight of Octyl isovalerate is 214.19 g/mol.
Where can I buy Octyl isovalerate?
You can request a quote for Octyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Octyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.