2-Ethenyl-2-butenal
TL;DR: 2-Ethenyl-2-butenal (CAS 20521-42-0) is a chemical compound with molecular formula C6H8O and molecular weight 96.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethenylbut-2-enal
Also Known As: 2-Vinyl-2-butenal, 2-ethenylbut-2-enal, 2-ETHENYL-2-BUTENAL, 2-Butenal, 2-ethenyl-, Crotonaldehyde, 2-vinyl-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O |
| Molecular Weight | 96.05752 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 Da |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
| SMILES | CC=C(C=C)C=O |
| InChIKey | XOBGIOGZLQNHMM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethenyl-2-butenal
Property Insights of 2-Ethenyl-2-butenal
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethenyl-2-butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethenyl-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethenyl-2-butenal has 0 hydrogen bond donor(s) and 1 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-Ethenyl-2-butenal?
The CAS number of 2-Ethenyl-2-butenal is 20521-42-0.
What is the molecular formula of 2-Ethenyl-2-butenal?
The molecular formula of 2-Ethenyl-2-butenal is C6H8O.
What is the molecular weight of 2-Ethenyl-2-butenal?
The molecular weight of 2-Ethenyl-2-butenal is 96.05752 g/mol.
Where can I buy 2-Ethenyl-2-butenal?
You can request a quote for 2-Ethenyl-2-butenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethenyl-2-butenal?
Yes, CoreyChem provides custom synthesis services for 2-Ethenyl-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.