Dimethyl 2,2,4-trimethyladipate
TL;DR: Dimethyl 2,2,4-trimethyladipate (CAS 29713-25-5) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,2,4-trimethylhexanedioate
Also Known As: Dimethyl 2,2,4-trimethyladipate, dimethyl 2,2,4-trimethylhexanedioate, 2,2,4-Trimethylhexanedioic acid dimethyl ester, 1,6-DIMETHYL 2,2,4-TRIMETHYLHEXANEDIOATE, Hexanedioic acid,2,2,4-trimethyl-, 1,6-dimethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CC(CC(=O)OC)CC(C)(C)C(=O)OC |
| InChIKey | UJDNTFQWEQKSCL-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2,2,4-trimethyladipate
Property Insights of Dimethyl 2,2,4-trimethyladipate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2,4-trimethyladipate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2,4-trimethyladipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2,4-trimethyladipate 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 2,2,4-trimethyladipate?
The CAS number of Dimethyl 2,2,4-trimethyladipate is 29713-25-5.
What is the molecular formula of Dimethyl 2,2,4-trimethyladipate?
The molecular formula of Dimethyl 2,2,4-trimethyladipate is C11H20O4.
What is the molecular weight of Dimethyl 2,2,4-trimethyladipate?
The molecular weight of Dimethyl 2,2,4-trimethyladipate is 216.13615 g/mol.
Where can I buy Dimethyl 2,2,4-trimethyladipate?
You can request a quote for Dimethyl 2,2,4-trimethyladipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2,2,4-trimethyladipate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2,2,4-trimethyladipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.