2,4-Dimethylpenta-1,3-diene
TL;DR: 2,4-Dimethylpenta-1,3-diene (CAS 1000-86-8) is a chemical compound with molecular formula C7H12 and molecular weight 96.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethylpenta-1,3-diene
Also Known As: 2,4-Dimethyl-1,3-pentadiene, 2,4-Dimethylpenta-1,3-diene, 1,1,3-Trimethylbutadiene, 1,3-Pentadiene, 2,4-dimethyl-, 2,3-Pentadiene
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12 |
| Molecular Weight | 96.0939 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.0939 Da |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
| SMILES | CC(=CC(=C)C)C |
| InChIKey | CMSUNVGIWAFNBG-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dimethylpenta-1,3-diene
Property Insights of 2,4-Dimethylpenta-1,3-diene
The XLogP value of 3.3 indicates that 2,4-Dimethylpenta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Dimethylpenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylpenta-1,3-diene 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 2,4-Dimethylpenta-1,3-diene?
The CAS number of 2,4-Dimethylpenta-1,3-diene is 1000-86-8.
What is the molecular formula of 2,4-Dimethylpenta-1,3-diene?
The molecular formula of 2,4-Dimethylpenta-1,3-diene is C7H12.
What is the molecular weight of 2,4-Dimethylpenta-1,3-diene?
The molecular weight of 2,4-Dimethylpenta-1,3-diene is 96.0939 g/mol.
Where can I buy 2,4-Dimethylpenta-1,3-diene?
You can request a quote for 2,4-Dimethylpenta-1,3-diene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dimethylpenta-1,3-diene?
Yes, CoreyChem provides custom synthesis services for 2,4-Dimethylpenta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.