![[(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate structure](/static/products/261/261899-82-5.webp)
[(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate
TL;DR: [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate (CAS 261899-82-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate
Also Known As: 3,7-dimethyl-2,5,7-octatrienyl acetate, acetic acid,3,7-dimethylocta-2,5,7-trien-1-ol, [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] Acetate
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
| SMILES | CC(=C)/C=C/C/C(=C/COC(=O)C)/C |
| InChIKey | UTLIIEUAIKFJEE-BXROQLSZSA-N |
Chemical Property Profile of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate
Property Insights of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate
The XLogP value of 3.6 indicates that [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] 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, [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate?
The CAS number of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate is 261899-82-5.
What is the molecular formula of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate?
The molecular formula of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate is C12H18O2.
What is the molecular weight of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate?
The molecular weight of [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate is 194.13068 g/mol.
Where can I buy [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate?
You can request a quote for [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate?
Yes, CoreyChem provides custom synthesis services for [(2E,5E)-3,7-dimethylocta-2,5,7-trienyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.