Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate
TL;DR: Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate (CAS 116486-71-6) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-ynyl 3-methyl-5-oxo-4-pentyloxolane-2-carboxylate
Also Known As: prop-2-ynyl 3-methyl-5-oxo-4-pentyloxolane-2-carboxylate, prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate
Technical Specifications
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.13615 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.13615 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | CCCCCC1C(C(OC1=O)C(=O)OCC#C)C |
| InChIKey | XEZYHXQIKRHOBL-UHFFFAOYSA-N |
Chemical Property Profile of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate
Property Insights of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate
The XLogP value of 3.2 indicates that Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate?
The CAS number of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate is 116486-71-6.
What is the molecular formula of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate?
The molecular formula of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate is C14H20O4.
What is the molecular weight of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate?
The molecular weight of Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate is 252.13615 g/mol.
Where can I buy Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate?
You can request a quote for Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Prop-2-yn-1-yl 3-methyl-5-oxo-4-pentyltetrahydrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.