1,9-Dodecadiene
TL;DR: 1,9-Dodecadiene (CAS 157887-78-0) is a chemical compound with molecular formula C12H22 and molecular weight 166.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodeca-1,9-diene
Also Known As: 1,9-Dodecadiene, DODECA-1,9-DIENE, 1,9-Dodecadiene, (9E)-, 1,9-Dodecadiene, (9Z)-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22 |
| Molecular Weight | 166.17215 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 8 |
| Exact Mass | 166.17215 Da |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
| SMILES | CCC=CCCCCCCC=C |
| InChIKey | NXAAKAVSSNVOKK-UHFFFAOYSA-N |
Chemical Property Profile of 1,9-Dodecadiene
Property Insights of 1,9-Dodecadiene
The XLogP value of 5.3 indicates that 1,9-Dodecadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,9-Dodecadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Dodecadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,9-Dodecadiene?
The CAS number of 1,9-Dodecadiene is 157887-78-0.
What is the molecular formula of 1,9-Dodecadiene?
The molecular formula of 1,9-Dodecadiene is C12H22.
What is the molecular weight of 1,9-Dodecadiene?
The molecular weight of 1,9-Dodecadiene is 166.17215 g/mol.
Where can I buy 1,9-Dodecadiene?
You can request a quote for 1,9-Dodecadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,9-Dodecadiene?
Yes, CoreyChem provides custom synthesis services for 1,9-Dodecadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.