2-Methylhex-5-en-3-yn-2-yl acetate
TL;DR: 2-Methylhex-5-en-3-yn-2-yl acetate (CAS 13043-77-1) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylhex-5-en-3-yn-2-yl acetate
Also Known As: 2-methylhex-5-en-3-yn-2-yl Acetate, acetic acid,2-methylhex-5-en-3-yn-2-ol
Technical Specifications
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.08372 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.08372 Da |
| Heavy Atoms | 11 |
| Complexity | 224.0 |
| SMILES | CC(=O)OC(C)(C)C#CC=C |
| InChIKey | ANINEWSBMJDFKF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylhex-5-en-3-yn-2-yl acetate
Property Insights of 2-Methylhex-5-en-3-yn-2-yl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylhex-5-en-3-yn-2-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylhex-5-en-3-yn-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhex-5-en-3-yn-2-yl acetate 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 2-Methylhex-5-en-3-yn-2-yl acetate?
The CAS number of 2-Methylhex-5-en-3-yn-2-yl acetate is 13043-77-1.
What is the molecular formula of 2-Methylhex-5-en-3-yn-2-yl acetate?
The molecular formula of 2-Methylhex-5-en-3-yn-2-yl acetate is C9H12O2.
What is the molecular weight of 2-Methylhex-5-en-3-yn-2-yl acetate?
The molecular weight of 2-Methylhex-5-en-3-yn-2-yl acetate is 152.08372 g/mol.
Where can I buy 2-Methylhex-5-en-3-yn-2-yl acetate?
You can request a quote for 2-Methylhex-5-en-3-yn-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylhex-5-en-3-yn-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 2-Methylhex-5-en-3-yn-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.