2,5,5-Trimethylhex-3-ynyl methanesulfonate
TL;DR: 2,5,5-Trimethylhex-3-ynyl methanesulfonate (CAS 154027-45-9) is a chemical compound with molecular formula C10H18O3S and molecular weight 218.09767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5,5-trimethylhex-3-ynyl methanesulfonate
Also Known As: 2,5,5-trimethyl-1-methylsulfonyloxy-hex-3-yne, 3-Hexyn-1-ol, 2,5,5-trimethyl-, 1-methanesulfonate
Technical Specifications
| Molecular Formula | C10H18O3S |
| Molecular Weight | 218.09767 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.09767 Da |
| Heavy Atoms | 14 |
| Complexity | 329.0 |
| SMILES | CC(COS(=O)(=O)C)C#CC(C)(C)C |
| InChIKey | UBZIJAXNJMADBE-UHFFFAOYSA-N |
Chemical Property Profile of 2,5,5-Trimethylhex-3-ynyl methanesulfonate
Property Insights of 2,5,5-Trimethylhex-3-ynyl methanesulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,5-Trimethylhex-3-ynyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2,5,5-Trimethylhex-3-ynyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,5-Trimethylhex-3-ynyl methanesulfonate 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 2,5,5-Trimethylhex-3-ynyl methanesulfonate?
The CAS number of 2,5,5-Trimethylhex-3-ynyl methanesulfonate is 154027-45-9.
What is the molecular formula of 2,5,5-Trimethylhex-3-ynyl methanesulfonate?
The molecular formula of 2,5,5-Trimethylhex-3-ynyl methanesulfonate is C10H18O3S.
What is the molecular weight of 2,5,5-Trimethylhex-3-ynyl methanesulfonate?
The molecular weight of 2,5,5-Trimethylhex-3-ynyl methanesulfonate is 218.09767 g/mol.
Where can I buy 2,5,5-Trimethylhex-3-ynyl methanesulfonate?
You can request a quote for 2,5,5-Trimethylhex-3-ynyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5,5-Trimethylhex-3-ynyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2,5,5-Trimethylhex-3-ynyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.