1-Hexen-1-one, 2-ethyl-
TL;DR: 1-Hexen-1-one, 2-ethyl- (CAS 17139-73-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhex-1-en-1-one
Also Known As: Butylethylketene, 2-ethylhex-1-en-1-one, 1-Hexen-1-one, 2-ethyl-, 2-ethyl-1-hexenal, 2-Ethyl-1-hexene-1-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
| SMILES | CCCCC(=C=O)CC |
| InChIKey | YBXJZGOTBMPKNO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hexen-1-one, 2-ethyl-
Property Insights of 1-Hexen-1-one, 2-ethyl-
The XLogP value of 3.6 indicates that 1-Hexen-1-one, 2-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Hexen-1-one, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexen-1-one, 2-ethyl- 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 1-Hexen-1-one, 2-ethyl-?
The CAS number of 1-Hexen-1-one, 2-ethyl- is 17139-73-0.
What is the molecular formula of 1-Hexen-1-one, 2-ethyl-?
The molecular formula of 1-Hexen-1-one, 2-ethyl- is C8H14O.
What is the molecular weight of 1-Hexen-1-one, 2-ethyl-?
The molecular weight of 1-Hexen-1-one, 2-ethyl- is 126.10446 g/mol.
Where can I buy 1-Hexen-1-one, 2-ethyl-?
You can request a quote for 1-Hexen-1-one, 2-ethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexen-1-one, 2-ethyl-?
Yes, CoreyChem provides custom synthesis services for 1-Hexen-1-one, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.