5-Hexenyl Acetate
TL;DR: 5-Hexenyl Acetate (CAS 50828-34-7) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-5-enyl acetate
Also Known As: 5-Hexenyl acetate, hex-5-enyl acetate, hex-5-en-1-yl acetate, Acetic acid 5-hexen-1-yl ester, 6-Acetoxy-1-hexene
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 50828-34-7 |
|---|---|
| SMILES | CC(=O)OCCCCC=C |
| InChIKey | MPLWNENKBSBMFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hexenyl Acetate (CAS 50828-34-7), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: hex-5-enyl acetate.
Chemical Property Profile of 5-Hexenyl Acetate
Property Insights of 5-Hexenyl Acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexenyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Hexenyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexenyl Acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Hexenyl Acetate?
The CAS number of 5-Hexenyl Acetate is 50828-34-7.
What is the molecular formula of 5-Hexenyl Acetate?
The molecular formula of 5-Hexenyl Acetate is C8H14O2.
What is the molecular weight of 5-Hexenyl Acetate?
The molecular weight of 5-Hexenyl Acetate is 142.10 g/mol.
Where can I buy 5-Hexenyl Acetate?
You can request a quote for 5-Hexenyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexenyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexenyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.