5-Hexene-2-one
TL;DR: 5-Hexene-2-one (CAS 109-49-9) 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-5-en-2-one
Also Known As: 5-Hexen-2-one, Allylacetone, hex-5-en-2-one, 5-Hexene-2-one, 1-Hexen-5-one
Application Areas
Top 5 of 21 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) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
| SMILES | CC(=O)CCC=C |
| InChIKey | RNDVGJZUHCKENF-UHFFFAOYSA-N |
Product Description
Applications: 5-Hexene-2-one is used in polymer chemistry and functional materials synthesis, 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 polymer intermediate supplied by CoreyChem, 5-Hexene-2-one (CAS 109-49-9) has the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Synonyms include 5-Hexen-2-one and Allylacetone.
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 5-Hexene-2-one
Property Insights of 5-Hexene-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexene-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Hexene-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexene-2-one has 0 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 5-Hexene-2-one?
The CAS number of 5-Hexene-2-one is 109-49-9.
What is the molecular formula of 5-Hexene-2-one?
The molecular formula of 5-Hexene-2-one is C6H10O.
What is the molecular weight of 5-Hexene-2-one?
The molecular weight of 5-Hexene-2-one is 98.073166 g/mol.
What are the applications of 5-Hexene-2-one?
5-Hexene-2-one is used in polymer chemistry and functional materials synthesis, 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...
Where can I buy 5-Hexene-2-one?
You can request a quote for 5-Hexene-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hexene-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Hexene-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.