Dimethyl 2-ethylpentanedioate
TL;DR: Dimethyl 2-ethylpentanedioate (CAS 143008-53-1) 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-ethylpentanedioate
Also Known As: 2-Ethylglutaric acid dimethyl ester, Dimethyl 2-ethylpentanedioate, Diisopropyl malonate, 2-Ethylglutaricaciddimethylester, Dimethyl 2-ethylpentanedioate #
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 | 7 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
| SMILES | CCC(CCC(=O)OC)C(=O)OC |
| InChIKey | UTUQNPLMHJIJDM-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2-ethylpentanedioate
Property Insights of Dimethyl 2-ethylpentanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-ethylpentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-ethylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-ethylpentanedioate 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-ethylpentanedioate?
The CAS number of Dimethyl 2-ethylpentanedioate is 143008-53-1.
What is the molecular formula of Dimethyl 2-ethylpentanedioate?
The molecular formula of Dimethyl 2-ethylpentanedioate is C9H16O4.
What is the molecular weight of Dimethyl 2-ethylpentanedioate?
The molecular weight of Dimethyl 2-ethylpentanedioate is 188.10486 g/mol.
Where can I buy Dimethyl 2-ethylpentanedioate?
You can request a quote for Dimethyl 2-ethylpentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2-ethylpentanedioate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2-ethylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.