Ditert-butyl but-2-enedioate
TL;DR: Ditert-butyl but-2-enedioate (CAS 120515-31-3) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ditert-butyl but-2-enedioate
Also Known As: Di-tert-butyl maleate, Di-tert-butyl fumarate, ditert-butyl but-2-enedioate, di-tert-butyl but-2-enedioate, ditert-butyl (Z)-but-2-enedioate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.13615 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C |
| InChIKey | MSVGHYYKWDQHFV-UHFFFAOYSA-N |
Chemical Property Profile of Ditert-butyl but-2-enedioate
Property Insights of Ditert-butyl but-2-enedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ditert-butyl but-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Ditert-butyl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditert-butyl but-2-enedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ditert-butyl but-2-enedioate?
The CAS number of Ditert-butyl but-2-enedioate is 120515-31-3.
What is the molecular formula of Ditert-butyl but-2-enedioate?
The molecular formula of Ditert-butyl but-2-enedioate is C12H20O4.
What is the molecular weight of Ditert-butyl but-2-enedioate?
The molecular weight of Ditert-butyl but-2-enedioate is 228.13615 g/mol.
Where can I buy Ditert-butyl but-2-enedioate?
You can request a quote for Ditert-butyl but-2-enedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ditert-butyl but-2-enedioate?
Yes, CoreyChem provides custom synthesis services for Ditert-butyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.