3-Hexyn-2-ol
TL;DR: 3-Hexyn-2-ol (CAS 109-50-2) is a chemical compound with molecular formula C6H10O and molecular weight 98.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-3-yn-2-ol
Also Known As: 3-HEXYN-2-OL, hex-3-yn-2-ol, hexyne-2-ol, 3-Hexyn-2-ol, 97%, I840
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O |
| Molecular Weight | 98.073166 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 93.0 |
| SMILES | CCC#CC(C)O |
| InChIKey | IFCAMPHNVKBSTF-UHFFFAOYSA-N |
Product Description
Applications: 3-Hexyn-2-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Hexyn-2-ol is a heterocyclic building block identified by CAS number 109-50-2 and the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Synonyms include 3-HEXYN-2-OL and hex-3-yn-2-ol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Hexyn-2-ol
Property Insights of 3-Hexyn-2-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexyn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hexyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyn-2-ol has 1 hydrogen bond donor(s) and 1 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-Hexyn-2-ol?
The CAS number of 3-Hexyn-2-ol is 109-50-2.
What is the molecular formula of 3-Hexyn-2-ol?
The molecular formula of 3-Hexyn-2-ol is C6H10O.
What is the molecular weight of 3-Hexyn-2-ol?
The molecular weight of 3-Hexyn-2-ol is 98.073166 g/mol.
What are the applications of 3-Hexyn-2-ol?
3-Hexyn-2-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 3-Hexyn-2-ol?
You can request a quote for 3-Hexyn-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hexyn-2-ol?
Yes, CoreyChem provides custom synthesis services for 3-Hexyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.