Ethyl 2-acetyl-2-hexenoate
TL;DR: Ethyl 2-acetyl-2-hexenoate (CAS 31336-34-2) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetylhex-2-enoate
Also Known As: ethyl 2-acetyl-2-hexenoate, ethyl 2-acetylhex-2-enoate, 3-carbethoxy-3-hepten-2-one, ethyl (Z)-2-acetylhex-2-enoate, 2-Hexenoic acid,2-acetyl-, ethyl ester
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 31336-34-2 |
|---|---|
| SMILES | CCCC=C(C(=O)C)C(=O)OCC |
| InChIKey | YCFIMPXZYSZJBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetyl-2-hexenoate (CAS 31336-34-2), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: ethyl 2-acetylhex-2-enoate.
Chemical Property Profile of Ethyl 2-acetyl-2-hexenoate
Property Insights of Ethyl 2-acetyl-2-hexenoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-2-hexenoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetyl-2-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyl-2-hexenoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-acetyl-2-hexenoate?
The CAS number of Ethyl 2-acetyl-2-hexenoate is 31336-34-2.
What is the molecular formula of Ethyl 2-acetyl-2-hexenoate?
The molecular formula of Ethyl 2-acetyl-2-hexenoate is C10H16O3.
What is the molecular weight of Ethyl 2-acetyl-2-hexenoate?
The molecular weight of Ethyl 2-acetyl-2-hexenoate is 184.11 g/mol.
Where can I buy Ethyl 2-acetyl-2-hexenoate?
You can request a quote for Ethyl 2-acetyl-2-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-2-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-2-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.