Hex-3-enyl acetate
TL;DR: Hex-3-enyl acetate (CAS 3681-71-8) 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-3-enyl acetate
Also Known As: cis-3-Hexenyl acetate, Hex-3-enyl acetate, Leaf acetate, 3-Hexenylacetate, 3-Hexen-1-ol, acetate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 3681-71-8 |
|---|---|
| SMILES | CCC=CCCOC(=O)C |
| InChIKey | NPFVOOAXDOBMCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-3-enyl acetate (CAS 3681-71-8), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: hex-3-enyl acetate.
Chemical Property Profile of Hex-3-enyl acetate
Property Insights of Hex-3-enyl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-3-enyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-3-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl 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 Hex-3-enyl acetate?
The CAS number of Hex-3-enyl acetate is 3681-71-8.
What is the molecular formula of Hex-3-enyl acetate?
The molecular formula of Hex-3-enyl acetate is C8H14O2.
What is the molecular weight of Hex-3-enyl acetate?
The molecular weight of Hex-3-enyl acetate is 142.10 g/mol.
Where can I buy Hex-3-enyl acetate?
You can request a quote for Hex-3-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.