5-(2-methylpropyl)-3H-pyran-2,6-dione
TL;DR: 5-(2-methylpropyl)-3H-pyran-2,6-dione (CAS 120699-30-1) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-methylpropyl)-3H-pyran-2,6-dione
Also Known As: 3-(2-methylpropyl)-5H-pyran-2,6-dione, 2-(2-methylpropyl)-pent-2-enedicarboxylic acid anhydride
Technical Specifications
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.07864 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 Da |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
| SMILES | CC(C)CC1=CCC(=O)OC1=O |
| InChIKey | RUOMTDCLIKCDLX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-methylpropyl)-3H-pyran-2,6-dione
Property Insights of 5-(2-methylpropyl)-3H-pyran-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-methylpropyl)-3H-pyran-2,6-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 5-(2-methylpropyl)-3H-pyran-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-methylpropyl)-3H-pyran-2,6-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The CAS number of 5-(2-methylpropyl)-3H-pyran-2,6-dione is 120699-30-1.
What is the molecular formula of 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The molecular formula of 5-(2-methylpropyl)-3H-pyran-2,6-dione is C9H12O3.
What is the molecular weight of 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The molecular weight of 5-(2-methylpropyl)-3H-pyran-2,6-dione is 168.07864 g/mol.
Where can I buy 5-(2-methylpropyl)-3H-pyran-2,6-dione?
You can request a quote for 5-(2-methylpropyl)-3H-pyran-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-methylpropyl)-3H-pyran-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 5-(2-methylpropyl)-3H-pyran-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.