Ethyl 5-methylhexanoate
TL;DR: Ethyl 5-methylhexanoate (CAS 110025-83-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methylhexanoate
Also Known As: Ethyl 5-methylhexanoate, ethyl isoamylacetate, ethanol-isoamylacetate, starbld0046620, Pregabalin Impurity 127
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 110025-83-7 |
|---|---|
| SMILES | CCOC(=O)CCCC(C)C |
| InChIKey | VUOGVGBBHBPFGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methylhexanoate (CAS 110025-83-7), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: ethyl 5-methylhexanoate.
Chemical Property Profile of Ethyl 5-methylhexanoate
Property Insights of Ethyl 5-methylhexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methylhexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 5-methylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methylhexanoate 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 Ethyl 5-methylhexanoate?
The CAS number of Ethyl 5-methylhexanoate is 110025-83-7.
What is the molecular formula of Ethyl 5-methylhexanoate?
The molecular formula of Ethyl 5-methylhexanoate is C9H18O2.
What is the molecular weight of Ethyl 5-methylhexanoate?
The molecular weight of Ethyl 5-methylhexanoate is 158.13 g/mol.
Where can I buy Ethyl 5-methylhexanoate?
You can request a quote for Ethyl 5-methylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.