3-Methylpent-1-yn-3-yl phenylacetate
TL;DR: 3-Methylpent-1-yn-3-yl phenylacetate (CAS 100883-28-1) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpent-1-yn-3-yl 2-phenylacetate
Also Known As: 3-methylpent-1-yn-3-yl phenylacetate, 3-methylpent-1-yn-3-yl 2-phenylacetate, Phenylacetic acid 1-ethyl-1-methyl-2-propynyl ester, 4-09-00-01621 (Beilstein Handbook Reference), ACETIC ACID, PHENYL-, 1-ETHYL-1-METHYL-2-PROPYNYL ESTER
Technical Specifications
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.11504 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.11504 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | CCC(C)(C#C)OC(=O)CC1=CC=CC=C1 |
| InChIKey | WMQXGADPRYEIHX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylpent-1-yn-3-yl phenylacetate
Property Insights of 3-Methylpent-1-yn-3-yl phenylacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpent-1-yn-3-yl phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpent-1-yn-3-yl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpent-1-yn-3-yl phenylacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methylpent-1-yn-3-yl phenylacetate?
The CAS number of 3-Methylpent-1-yn-3-yl phenylacetate is 100883-28-1.
What is the molecular formula of 3-Methylpent-1-yn-3-yl phenylacetate?
The molecular formula of 3-Methylpent-1-yn-3-yl phenylacetate is C14H16O2.
What is the molecular weight of 3-Methylpent-1-yn-3-yl phenylacetate?
The molecular weight of 3-Methylpent-1-yn-3-yl phenylacetate is 216.11504 g/mol.
Where can I buy 3-Methylpent-1-yn-3-yl phenylacetate?
You can request a quote for 3-Methylpent-1-yn-3-yl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylpent-1-yn-3-yl phenylacetate?
Yes, CoreyChem provides custom synthesis services for 3-Methylpent-1-yn-3-yl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.