4-Hexen-1-yne, (4E)-
TL;DR: 4-Hexen-1-yne, (4E)- (CAS 100245-64-5) is a chemical compound with molecular formula C6H8 and molecular weight 80.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-4-en-1-yne
Also Known As: propargyl propylene, hex-4-en-1-yne, 4-Hexen-1-yne, (4E)-, hex-trans-4-en-1-yne
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8 |
| Molecular Weight | 80.0626 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 80.0626 Da |
| Heavy Atoms | 6 |
| Complexity | 79.0 |
| SMILES | CC=CCC#C |
| InChIKey | JLXNEPDKUYQIPV-UHFFFAOYSA-N |
Product Description
Applications: 4-Hexen-1-yne, (4E)- is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
4-Hexen-1-yne, (4E)- (CAS 100245-64-5) is a organic building block with the molecular formula C6H8 and a molecular weight of 80.06 g/mol. Synonyms include propargyl propylene and hex-4-en-1-yne.
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 4-Hexen-1-yne, (4E)-
Property Insights of 4-Hexen-1-yne, (4E)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexen-1-yne, (4E)-. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Hexen-1-yne, (4E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexen-1-yne, (4E)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hexen-1-yne, (4E)-?
The CAS number of 4-Hexen-1-yne, (4E)- is 100245-64-5.
What is the molecular formula of 4-Hexen-1-yne, (4E)-?
The molecular formula of 4-Hexen-1-yne, (4E)- is C6H8.
What is the molecular weight of 4-Hexen-1-yne, (4E)-?
The molecular weight of 4-Hexen-1-yne, (4E)- is 80.0626 g/mol.
What are the applications of 4-Hexen-1-yne, (4E)-?
4-Hexen-1-yne, (4E)- is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 4-Hexen-1-yne, (4E)-?
You can request a quote for 4-Hexen-1-yne, (4E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hexen-1-yne, (4E)-?
Yes, CoreyChem provides custom synthesis services for 4-Hexen-1-yne, (4E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.