Oct-2-enal
TL;DR: Oct-2-enal (CAS 2363-89-5) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-2-enal
Also Known As: oct-2-enal, 2-OCTENAL, trans-2-Octenal, (E)-2-Octenal, trans-2-Octen-1-al
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Boiling Point | 84.00 to 86.00 °C. @ 19.00 mm Hg |
| Density | 0.835-0.845 |
| Solubility | Slightly soluble in water; Soluble in most fixed oils |
| Refractive Index | 1.449-1.455 |
Chemical Identifiers
| CAS Number | 2363-89-5 |
|---|---|
| SMILES | CCCCCC=CC=O |
| InChIKey | LVBXEMGDVWVTGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oct-2-enal (CAS 2363-89-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-2-enal.
Chemical Property Profile of Oct-2-enal
Property Insights of Oct-2-enal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oct-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, Oct-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-2-enal 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
Frequently Asked Questions
What is the CAS number of Oct-2-enal?
The CAS number of Oct-2-enal is 2363-89-5.
What is the molecular formula of Oct-2-enal?
The molecular formula of Oct-2-enal is C8H14O.
What is the molecular weight of Oct-2-enal?
The molecular weight of Oct-2-enal is 126.10 g/mol.
Where can I buy Oct-2-enal?
You can request a quote for Oct-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oct-2-enal?
Yes, KEHONG BIO provides custom synthesis services for Oct-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.