Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester
TL;DR: Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester (CAS 4387-61-5) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl 2,2,4-trimethyl-3-oxopentanoate
Also Known As: Methallyl 2,2,4-trimethyl-3-ketopentanoate, 2-Methylallyl 2,2,4-trimethyl-3-ketovalerate, 2-methylprop-2-enyl 2,2,4-trimethyl-3-oxopentanoate, 2,2,4-Trimethyl-3-oxovalericacid2-methylallylester, Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 4387-61-5 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)C(=O)OCC(=C)C |
| InChIKey | FSXGYMLVUVNGJH-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester (CAS 4387-61-5), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 2-methylprop-2-enyl 2,2,4-trimethyl-3-oxopentanoate.
Chemical Property Profile of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester
Property Insights of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester
The XLogP value of 3.2 indicates that Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl 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
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester?
The CAS number of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester is 4387-61-5.
What is the molecular formula of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester?
The molecular formula of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester is C12H20O3.
What is the molecular weight of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester?
The molecular weight of Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester is 212.14 g/mol.
Where can I buy Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester?
You can request a quote for Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2,2,4-trimethyl-3-oxo-, 2-methyl-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.