4-Methyl-1,2,4-pentatriene
TL;DR: 4-Methyl-1,2,4-pentatriene (CAS 14763-81-6) is a chemical compound with molecular formula C6H8 and molecular weight 80.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpenta-1,2,4-triene
Also Known As: t-hexatriene, 4-Methyl-1,2,4-pentatriene, 4-methylpenta-1,2,4-triene, 4-methyl-penta-1,2,4-triene, CH2=C=CHC(CH3)=CH2
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8 |
| Molecular Weight | 80.0626 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 80.0626 Da |
| Heavy Atoms | 6 |
| Complexity | 92.0 |
| SMILES | CC(=C)C=C=C |
| InChIKey | VKCPLONERNXWAQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-1,2,4-pentatriene
Property Insights of 4-Methyl-1,2,4-pentatriene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2,4-pentatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methyl-1,2,4-pentatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,2,4-pentatriene 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-Methyl-1,2,4-pentatriene?
The CAS number of 4-Methyl-1,2,4-pentatriene is 14763-81-6.
What is the molecular formula of 4-Methyl-1,2,4-pentatriene?
The molecular formula of 4-Methyl-1,2,4-pentatriene is C6H8.
What is the molecular weight of 4-Methyl-1,2,4-pentatriene?
The molecular weight of 4-Methyl-1,2,4-pentatriene is 80.0626 g/mol.
Where can I buy 4-Methyl-1,2,4-pentatriene?
You can request a quote for 4-Methyl-1,2,4-pentatriene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-1,2,4-pentatriene?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-1,2,4-pentatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.