12-Oxododecadienoic acid
TL;DR: 12-Oxododecadienoic acid (CAS 111937-68-9) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-oxododeca-2,4-dienoic acid
Also Known As: 12-Oxododecadienoic acid, 11-formyl undecadienoic acid, Dodecadienoic acid, 12-oxo-, (2E,4E)-12-oxododeca-2,4-dienoic Acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.1256 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 210.1256 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | C(CCCC=O)CCC=CC=CC(=O)O |
| InChIKey | GHEIVIBUNYJAMC-UHFFFAOYSA-N |
Chemical Property Profile of 12-Oxododecadienoic acid
Property Insights of 12-Oxododecadienoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxododecadienoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 12-Oxododecadienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxododecadienoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 12-Oxododecadienoic acid?
The CAS number of 12-Oxododecadienoic acid is 111937-68-9.
What is the molecular formula of 12-Oxododecadienoic acid?
The molecular formula of 12-Oxododecadienoic acid is C12H18O3.
What is the molecular weight of 12-Oxododecadienoic acid?
The molecular weight of 12-Oxododecadienoic acid is 210.1256 g/mol.
Where can I buy 12-Oxododecadienoic acid?
You can request a quote for 12-Oxododecadienoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-Oxododecadienoic acid?
Yes, CoreyChem provides custom synthesis services for 12-Oxododecadienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.