Dimethyl 3-isobutyl-3-methylglutarate
TL;DR: Dimethyl 3-isobutyl-3-methylglutarate (CAS 145328-10-5) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 3-methyl-3-(2-methylpropyl)pentanedioate
Also Known As: dimethyl 3-isobutyl-3-methylglutarate, 1,5-dimethyl 3-methyl-3-(2-methylpropyl)pentanedioate, dimethyl 3-isobutyl-3-methylpentanedioate, dimethyl 3-methyl-3-(2-methylpropyl)pentanedioate, 1,5-dimethyl3-methyl-3-(2-methylpropyl)pentanedioate
Technical Specifications
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | CC(C)CC(C)(CC(=O)OC)CC(=O)OC |
| InChIKey | GMDRTCDTAZMQBC-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 3-isobutyl-3-methylglutarate
Property Insights of Dimethyl 3-isobutyl-3-methylglutarate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-isobutyl-3-methylglutarate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-isobutyl-3-methylglutarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-isobutyl-3-methylglutarate 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 Dimethyl 3-isobutyl-3-methylglutarate?
The CAS number of Dimethyl 3-isobutyl-3-methylglutarate is 145328-10-5.
What is the molecular formula of Dimethyl 3-isobutyl-3-methylglutarate?
The molecular formula of Dimethyl 3-isobutyl-3-methylglutarate is C12H22O4.
What is the molecular weight of Dimethyl 3-isobutyl-3-methylglutarate?
The molecular weight of Dimethyl 3-isobutyl-3-methylglutarate is 230.15181 g/mol.
Where can I buy Dimethyl 3-isobutyl-3-methylglutarate?
You can request a quote for Dimethyl 3-isobutyl-3-methylglutarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 3-isobutyl-3-methylglutarate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 3-isobutyl-3-methylglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.