1,5-Dimethyl 2,2-dimethylpentanedioate
TL;DR: 1,5-Dimethyl 2,2-dimethylpentanedioate (CAS 13051-32-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,2-dimethylpentanedioate
Also Known As: Dimethyl 2,2-dimethylpentanedioate, Dimethyl 2,2-dimethylglutarate, 1,5-dimethyl 2,2-dimethylpentanedioate, dimethyldimethylpentanedioate, dimethyl 2,2-dimethylglycidate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | CC(C)(CCC(=O)OC)C(=O)OC |
| InChIKey | FNUCRTXRRVUFJJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Dimethyl 2,2-dimethylpentanedioate
Property Insights of 1,5-Dimethyl 2,2-dimethylpentanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl 2,2-dimethylpentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dimethyl 2,2-dimethylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl 2,2-dimethylpentanedioate 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 1,5-Dimethyl 2,2-dimethylpentanedioate?
The CAS number of 1,5-Dimethyl 2,2-dimethylpentanedioate is 13051-32-6.
What is the molecular formula of 1,5-Dimethyl 2,2-dimethylpentanedioate?
The molecular formula of 1,5-Dimethyl 2,2-dimethylpentanedioate is C9H16O4.
What is the molecular weight of 1,5-Dimethyl 2,2-dimethylpentanedioate?
The molecular weight of 1,5-Dimethyl 2,2-dimethylpentanedioate is 188.10486 g/mol.
Where can I buy 1,5-Dimethyl 2,2-dimethylpentanedioate?
You can request a quote for 1,5-Dimethyl 2,2-dimethylpentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Dimethyl 2,2-dimethylpentanedioate?
Yes, CoreyChem provides custom synthesis services for 1,5-Dimethyl 2,2-dimethylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.