1-Chloro-2-methylbut-2-ene
TL;DR: 1-Chloro-2-methylbut-2-ene (CAS 13417-43-1) is a chemical compound with molecular formula C5H9Cl and molecular weight 104.039276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-methylbut-2-ene
Also Known As: 1-chloro-2-methylbut-2-ene, 2-Butene, 1-chloro-2-methyl-, 1-chloro-2-methyl-but-2-ene, 1-CHLORO-2-METHYL-2-BUTENE
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9Cl |
| Molecular Weight | 104.039276 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.039276 Da |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
| SMILES | CC=C(C)CCl |
| InChIKey | ZAJKEDQTROWDDD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-2-methylbut-2-ene
Property Insights of 1-Chloro-2-methylbut-2-ene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-methylbut-2-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-methylbut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-methylbut-2-ene 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 1-Chloro-2-methylbut-2-ene?
The CAS number of 1-Chloro-2-methylbut-2-ene is 13417-43-1.
What is the molecular formula of 1-Chloro-2-methylbut-2-ene?
The molecular formula of 1-Chloro-2-methylbut-2-ene is C5H9Cl.
What is the molecular weight of 1-Chloro-2-methylbut-2-ene?
The molecular weight of 1-Chloro-2-methylbut-2-ene is 104.039276 g/mol.
Where can I buy 1-Chloro-2-methylbut-2-ene?
You can request a quote for 1-Chloro-2-methylbut-2-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-methylbut-2-ene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-methylbut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.