3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate
TL;DR: 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate (CAS 100052-92-4) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpent-1-yn-3-yl 2,2-dimethylpropanoate
Also Known As: 3-Methylpent-1-yn-3-yl pivalate, 3-methylpent-1-yn-3-yl 2,2-dimethylpropanoate, Pivalic acid, 1-ethyl-1-methyl-2-propynyl ester, 1-Pentyn-3-ol, 3-methyl-, pivalate (ester), 3-METHYL-1-PENTYN-3-OL PIVALATE
Technical Specifications
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.13068 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 Da |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
| SMILES | CCC(C)(C#C)OC(=O)C(C)(C)C |
| InChIKey | STRJJKDJSPDWLV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate
Property Insights of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate 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 2,2-dimethylpropanoate?
The CAS number of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate is 100052-92-4.
What is the molecular formula of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate?
The molecular formula of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate is C11H18O2.
What is the molecular weight of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate?
The molecular weight of 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate is 182.13068 g/mol.
Where can I buy 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate?
You can request a quote for 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate 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 2,2-dimethylpropanoate?
Yes, CoreyChem provides custom synthesis services for 3-Methylpent-1-yn-3-yl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.