Ethyl 5-methyl-3-oxohexanoate
TL;DR: Ethyl 5-methyl-3-oxohexanoate (CAS 34036-16-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-3-oxohexanoate
Also Known As: Ethyl 5-methyl-3-oxohexanoate, 5-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTER, ethyl isovalerylacetate, ethyl isopropylacetoacetate, ethyl 5-methyl-3-oxo-hexanoate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 34036-16-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CC(C)C |
| InChIKey | FNVGQABNHXEIBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methyl-3-oxohexanoate (CAS 34036-16-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 5-methyl-3-oxohexanoate.
Chemical Property Profile of Ethyl 5-methyl-3-oxohexanoate
Property Insights of Ethyl 5-methyl-3-oxohexanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-3-oxohexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 5-methyl-3-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methyl-3-oxohexanoate has 0 hydrogen bond donor(s) and 3 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-methyl-3-oxohexanoate?
The CAS number of Ethyl 5-methyl-3-oxohexanoate is 34036-16-3.
What is the molecular formula of Ethyl 5-methyl-3-oxohexanoate?
The molecular formula of Ethyl 5-methyl-3-oxohexanoate is C9H16O3.
What is the molecular weight of Ethyl 5-methyl-3-oxohexanoate?
The molecular weight of Ethyl 5-methyl-3-oxohexanoate is 172.11 g/mol.
Where can I buy Ethyl 5-methyl-3-oxohexanoate?
You can request a quote for Ethyl 5-methyl-3-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-3-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-3-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.