4,4-Dimethyl-1,2,5,6-heptatriene
TL;DR: 4,4-Dimethyl-1,2,5,6-heptatriene (CAS 111869-19-3) is a chemical compound with molecular formula C9H12 and molecular weight 120.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethylhepta-1,2,5,6-tetraene
Also Known As: 4,4-Dimethyl-1,2,5,6-heptatriene, 4,4-dimethylhepta-1,2,5,6-tetraene
Technical Specifications
| Molecular Formula | C9H12 |
| Molecular Weight | 120.0939 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.0939 Da |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
| SMILES | CC(C)(C=C=C)C=C=C |
| InChIKey | LAUMUDIRLSPOKG-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-1,2,5,6-heptatriene
Property Insights of 4,4-Dimethyl-1,2,5,6-heptatriene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1,2,5,6-heptatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 4,4-Dimethyl-1,2,5,6-heptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1,2,5,6-heptatriene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4-Dimethyl-1,2,5,6-heptatriene?
The CAS number of 4,4-Dimethyl-1,2,5,6-heptatriene is 111869-19-3.
What is the molecular formula of 4,4-Dimethyl-1,2,5,6-heptatriene?
The molecular formula of 4,4-Dimethyl-1,2,5,6-heptatriene is C9H12.
What is the molecular weight of 4,4-Dimethyl-1,2,5,6-heptatriene?
The molecular weight of 4,4-Dimethyl-1,2,5,6-heptatriene is 120.0939 g/mol.
Where can I buy 4,4-Dimethyl-1,2,5,6-heptatriene?
You can request a quote for 4,4-Dimethyl-1,2,5,6-heptatriene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-1,2,5,6-heptatriene?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-1,2,5,6-heptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.