2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-
TL;DR: 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- (CAS 101513-14-8) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-acetyloxy-3-methyl-4-oxobut-2-enyl) acetate
Also Known As: 3-Formylbut-2-endiyl diacetate, 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-, 3-Formylbut-2-ene-1,1-diyl diacetate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O5 |
| Molecular Weight | 200.06847 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.06847 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | CC(=CC(OC(=O)C)OC(=O)C)C=O |
| InChIKey | ZONLFTZQOACGCL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-
Property Insights of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-. Following Lipinski's Rule of Five, 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- has 0 hydrogen bond donor(s) and 5 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-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-?
The CAS number of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- is 101513-14-8.
What is the molecular formula of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-?
The molecular formula of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- is C9H12O5.
What is the molecular weight of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-?
The molecular weight of 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- is 200.06847 g/mol.
Where can I buy 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-?
You can request a quote for 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-?
Yes, CoreyChem provides custom synthesis services for 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.