Methyl 2-isopentyl-3-oxocyclopentaneacetate
TL;DR: Methyl 2-isopentyl-3-oxocyclopentaneacetate (CAS 29711-19-1) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(3-methylbutyl)-3-oxocyclopentyl]acetate
Also Known As: Methyl 2-isopentyl-3-oxocyclopentaneacetate, methyl 2-[2-(3-methylbutyl)-3-oxocyclopentyl]acetate, Methyl [2-(3-methylbutyl)-3-oxocyclopentyl]acetate, 2-(3-Methylbutyl)-3-oxocyclopentaneacetic acid methyl ester, Cyclopentaneaceticacid, 2-(3-methylbutyl)-3-oxo-, methyl ester
Technical Specifications
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.15689 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.15689 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CC(C)CCC1C(CCC1=O)CC(=O)OC |
| InChIKey | DGSQNDBKBFKKOZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-isopentyl-3-oxocyclopentaneacetate
Property Insights of Methyl 2-isopentyl-3-oxocyclopentaneacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isopentyl-3-oxocyclopentaneacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-isopentyl-3-oxocyclopentaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isopentyl-3-oxocyclopentaneacetate 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 Methyl 2-isopentyl-3-oxocyclopentaneacetate?
The CAS number of Methyl 2-isopentyl-3-oxocyclopentaneacetate is 29711-19-1.
What is the molecular formula of Methyl 2-isopentyl-3-oxocyclopentaneacetate?
The molecular formula of Methyl 2-isopentyl-3-oxocyclopentaneacetate is C13H22O3.
What is the molecular weight of Methyl 2-isopentyl-3-oxocyclopentaneacetate?
The molecular weight of Methyl 2-isopentyl-3-oxocyclopentaneacetate is 226.15689 g/mol.
Where can I buy Methyl 2-isopentyl-3-oxocyclopentaneacetate?
You can request a quote for Methyl 2-isopentyl-3-oxocyclopentaneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-isopentyl-3-oxocyclopentaneacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-isopentyl-3-oxocyclopentaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.