2-Octan-2-ylpropanedioic acid
TL;DR: 2-Octan-2-ylpropanedioic acid (CAS 100807-68-9) 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.
2-octan-2-ylpropanedioic acid
Also Known As: octan-2-ylpropanedioic acid, (1-methyl-heptyl)-malonic acid, 2-octan-2-ylpropanedioic acid, ((S)-1-methyl-heptyl)-malonic acid, 2-((S)-1-Methyl-heptyl)-malonic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| SMILES | CCCCCCC(C)C(C(=O)O)C(=O)O |
| InChIKey | JHDZAYOBNXRTKA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Octan-2-ylpropanedioic acid
Property Insights of 2-Octan-2-ylpropanedioic acid
The XLogP value of 3.6 indicates that 2-Octan-2-ylpropanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octan-2-ylpropanedioic acid. Following Lipinski's Rule of Five, 2-Octan-2-ylpropanedioic acid has 2 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 2-Octan-2-ylpropanedioic acid?
The CAS number of 2-Octan-2-ylpropanedioic acid is 100807-68-9.
What is the molecular formula of 2-Octan-2-ylpropanedioic acid?
The molecular formula of 2-Octan-2-ylpropanedioic acid is C11H20O4.
What is the molecular weight of 2-Octan-2-ylpropanedioic acid?
The molecular weight of 2-Octan-2-ylpropanedioic acid is 216.13615 g/mol.
Where can I buy 2-Octan-2-ylpropanedioic acid?
You can request a quote for 2-Octan-2-ylpropanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Octan-2-ylpropanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Octan-2-ylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.