Methyl 5-methyl-3-oxohexanoate
TL;DR: Methyl 5-methyl-3-oxohexanoate (CAS 30414-55-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-oxohexanoate
Also Known As: Methyl 5-methyl-3-oxohexanoate, 5-Methyl-3-oxo-hexanoic acid methyl ester, Hexanoic acid, 5-methyl-3-oxo-, methyl ester, 5-methyl-3-oxohexanoic acid methyl ester, Methyl .alpha.-isovalerylacetate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 30414-55-2 |
|---|---|
| SMILES | CC(C)CC(=O)CC(=O)OC |
| InChIKey | WUGKTJAKSVEAFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-methyl-3-oxohexanoate (CAS 30414-55-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 5-methyl-3-oxohexanoate.
Chemical Property Profile of Methyl 5-methyl-3-oxohexanoate
Property Insights of Methyl 5-methyl-3-oxohexanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-3-oxohexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 5-methyl-3-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 5-methyl-3-oxohexanoate?
The CAS number of Methyl 5-methyl-3-oxohexanoate is 30414-55-2.
What is the molecular formula of Methyl 5-methyl-3-oxohexanoate?
The molecular formula of Methyl 5-methyl-3-oxohexanoate is C8H14O3.
What is the molecular weight of Methyl 5-methyl-3-oxohexanoate?
The molecular weight of Methyl 5-methyl-3-oxohexanoate is 158.09 g/mol.
Where can I buy Methyl 5-methyl-3-oxohexanoate?
You can request a quote for Methyl 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 Methyl 5-methyl-3-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-3-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.