Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
TL;DR: Pentanedioic acid, 3-methyl-, 1,5-diethyl ester (CAS 6829-42-1) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 3-methylpentanedioate
Also Known As: diethyl 3-methylpentanedioate, Diethyl 3-methylglutarate, DIETHYL-3-METHYLGLUTARATE, beta-Methyl diethyl glutarate, A-methyl diethyl glutarate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12051 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | CCOC(=O)CC(C)CC(=O)OCC |
| InChIKey | SEWQUYBTRMDUQS-UHFFFAOYSA-N |
Chemical Property Profile of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
Property Insights of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 3-methyl-, 1,5-diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Pentanedioic acid, 3-methyl-, 1,5-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 3-methyl-, 1,5-diethyl ester 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 Pentanedioic acid, 3-methyl-, 1,5-diethyl ester?
The CAS number of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester is 6829-42-1.
What is the molecular formula of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester?
The molecular formula of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester is C10H18O4.
What is the molecular weight of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester?
The molecular weight of Pentanedioic acid, 3-methyl-, 1,5-diethyl ester is 202.12051 g/mol.
Where can I buy Pentanedioic acid, 3-methyl-, 1,5-diethyl ester?
You can request a quote for Pentanedioic acid, 3-methyl-, 1,5-diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanedioic acid, 3-methyl-, 1,5-diethyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanedioic acid, 3-methyl-, 1,5-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.