Octenone
TL;DR: Octenone (CAS 1669-44-9) 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-3-en-2-one
Also Known As: 3-OCTEN-2-ONE, oct-3-en-2-one, Octenone, 3-octen-2-ona, hex-1-enyl methyl ketone
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1669-44-9 |
|---|---|
| SMILES | CCCCC=CC(=O)C |
| InChIKey | ZCFOBLITZWHNNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octenone (CAS 1669-44-9), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-3-en-2-one.
Chemical Property Profile of Octenone
Property Insights of Octenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octenone. With a topological polar surface area (TPSA) of 17.1 Ų, Octenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octenone 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 Octenone?
The CAS number of Octenone is 1669-44-9.
What is the molecular formula of Octenone?
The molecular formula of Octenone is C8H14O.
What is the molecular weight of Octenone?
The molecular weight of Octenone is 126.10 g/mol.
Where can I buy Octenone?
You can request a quote for Octenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octenone?
Yes, KEHONG BIO provides custom synthesis services for Octenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.