3,6,10-Trimethylundeca-3,5,9-trien-2-one
TL;DR: 3,6,10-Trimethylundeca-3,5,9-trien-2-one (CAS 1117-41-5) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6,10-trimethylundeca-3,5,9-trien-2-one
Also Known As: Isomethylpseudoionone, 3,6,10-Trimethylundeca-3,5,9-trien-2-one, 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-, 3,5,9-Undecatrien-2-one,3,6,10-trimethyl-, 3,6,10-Trimethyl-undeca-3t,5t,9-trien-2-on
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
| SMILES | CC(=CCCC(=CC=C(C)C(=O)C)C)C |
| InChIKey | PRMAVUPVLGOONQ-UHFFFAOYSA-N |
Chemical Property Profile of 3,6,10-Trimethylundeca-3,5,9-trien-2-one
Property Insights of 3,6,10-Trimethylundeca-3,5,9-trien-2-one
The XLogP value of 4.3 indicates that 3,6,10-Trimethylundeca-3,5,9-trien-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,6,10-Trimethylundeca-3,5,9-trien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,10-Trimethylundeca-3,5,9-trien-2-one 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
What is the CAS number of 3,6,10-Trimethylundeca-3,5,9-trien-2-one?
The CAS number of 3,6,10-Trimethylundeca-3,5,9-trien-2-one is 1117-41-5.
What is the molecular formula of 3,6,10-Trimethylundeca-3,5,9-trien-2-one?
The molecular formula of 3,6,10-Trimethylundeca-3,5,9-trien-2-one is C14H22O.
What is the molecular weight of 3,6,10-Trimethylundeca-3,5,9-trien-2-one?
The molecular weight of 3,6,10-Trimethylundeca-3,5,9-trien-2-one is 206.16707 g/mol.
Where can I buy 3,6,10-Trimethylundeca-3,5,9-trien-2-one?
You can request a quote for 3,6,10-Trimethylundeca-3,5,9-trien-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6,10-Trimethylundeca-3,5,9-trien-2-one?
Yes, CoreyChem provides custom synthesis services for 3,6,10-Trimethylundeca-3,5,9-trien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.