trans,cis-3,13-Octadecadienyl acetate
TL;DR: trans,cis-3,13-Octadecadienyl acetate (CAS 53120-26-6) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadeca-3,13-dienyl acetate
Also Known As: (E,Z)-3,13-Octadecadienyl acetate, 3E,13E-Octadecadienyl acetate, 3E13Z-18Ac, 3Z13Z-18Ac, 3,13-octadecadien-1-ol-acetate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.27155 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 308.27155 Da |
| Heavy Atoms | 22 |
| Complexity | 292.0 |
| SMILES | CCCCC=CCCCCCCCCC=CCCOC(=O)C |
| InChIKey | VVJPJXKHBZNADP-UHFFFAOYSA-N |
Chemical Property Profile of trans,cis-3,13-Octadecadienyl acetate
Property Insights of trans,cis-3,13-Octadecadienyl acetate
The XLogP value of 7.5 indicates that trans,cis-3,13-Octadecadienyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, trans,cis-3,13-Octadecadienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans,cis-3,13-Octadecadienyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of trans,cis-3,13-Octadecadienyl acetate?
The CAS number of trans,cis-3,13-Octadecadienyl acetate is 53120-26-6.
What is the molecular formula of trans,cis-3,13-Octadecadienyl acetate?
The molecular formula of trans,cis-3,13-Octadecadienyl acetate is C20H36O2.
What is the molecular weight of trans,cis-3,13-Octadecadienyl acetate?
The molecular weight of trans,cis-3,13-Octadecadienyl acetate is 308.27155 g/mol.
Where can I buy trans,cis-3,13-Octadecadienyl acetate?
You can request a quote for trans,cis-3,13-Octadecadienyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans,cis-3,13-Octadecadienyl acetate?
Yes, CoreyChem provides custom synthesis services for trans,cis-3,13-Octadecadienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.