Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
TL;DR: Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester (CAS 15257-94-0) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-acetyl-4-methylpentanoate
Also Known As: Ethyl 2-acetyl-4-methylpentanoate, Ethyl 2-isobutylacetoacetate, Ethyl, 2-isobutyl acetoacetate, Ethyl-2-acetyl-isohexanoate, Ethyl 2-isobutyl acetoacetate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.1256 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 Da |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
| SMILES | CCOC(=O)C(CC(C)C)C(=O)C |
| InChIKey | ZGULNKYAODXSCS-UHFFFAOYSA-N |
Chemical Property Profile of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
Property Insights of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester 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
What is the CAS number of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester?
The CAS number of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester is 15257-94-0.
What is the molecular formula of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester?
The molecular formula of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester is C10H18O3.
What is the molecular weight of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester?
The molecular weight of Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester is 186.1256 g/mol.
Where can I buy Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester?
You can request a quote for Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.