Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate
TL;DR: Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate (CAS 112132-06-6) is a chemical compound with molecular formula C40H72O4 and molecular weight 616.5431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate
Also Known As: ((2E,13Z)-octadeca-2,13-dienyl) acetate, [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3E,13Z)-octadeca-3,13-dienyl] acetate, [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3Z,13Z)-octadeca-3,13-dienyl] acetate, 2,13-Octadecadien-1-ol, acetate, (2E,13Z)-, mixt. with (3Z,13Z)-3,13-octadecadienyl acetate
Technical Specifications
| Molecular Formula | C40H72O4 |
| Molecular Weight | 616.5431 g/mol |
| XLogP | 12.726 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Exact Mass | 616.5431 Da |
| Heavy Atoms | 44 |
| Complexity | 584.0 |
| SMILES | CCCCC=CCCCCCCCCCC=CCOC(=O)C.CCCCC=CCCCCCCCCC=CCCOC(=O)C |
| InChIKey | VURZEPFDGGWCTR-UHFFFAOYSA-N |
Chemical Property Profile of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate
Property Insights of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate
The XLogP value of 12.726 indicates that Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate?
The CAS number of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate is 112132-06-6.
What is the molecular formula of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate?
The molecular formula of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate is C40H72O4.
What is the molecular weight of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate?
The molecular weight of Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate is 616.5431 g/mol.
Where can I buy Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate?
You can request a quote for Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate?
Yes, CoreyChem provides custom synthesis services for Octadeca-2,13-dienyl acetate;octadeca-3,13-dienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.