Propylethinylcarbinol
TL;DR: Propylethinylcarbinol (CAS 105-31-7) 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-1-yn-3-ol
Also Known As: 1-HEXYN-3-OL, hex-1-yn-3-ol, Propylethinylcarbinol, 1-Hexyne-3-ol, 3-Hydroxy-1-hexyne
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O |
| Molecular Weight | 98.073166 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
| SMILES | CCCC(C#C)O |
| InChIKey | LTFTWJYRQNTCHI-UHFFFAOYSA-N |
Product Description
Applications: Propylethinylcarbinol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
A heterocyclic building block supplied by CoreyChem, Propylethinylcarbinol (CAS 105-31-7) has the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Synonyms include 1-HEXYN-3-OL and hex-1-yn-3-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 Propylethinylcarbinol
Property Insights of Propylethinylcarbinol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylethinylcarbinol. With a topological polar surface area (TPSA) of 20.2 Ų, Propylethinylcarbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylethinylcarbinol 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 Propylethinylcarbinol?
The CAS number of Propylethinylcarbinol is 105-31-7.
What is the molecular formula of Propylethinylcarbinol?
The molecular formula of Propylethinylcarbinol is C6H10O.
What is the molecular weight of Propylethinylcarbinol?
The molecular weight of Propylethinylcarbinol is 98.073166 g/mol.
What are the applications of Propylethinylcarbinol?
Propylethinylcarbinol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Propylethinylcarbinol?
You can request a quote for Propylethinylcarbinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propylethinylcarbinol?
Yes, CoreyChem provides custom synthesis services for Propylethinylcarbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.