2,2-Dimethylpentanoic acid
TL;DR: 2,2-Dimethylpentanoic acid (CAS 1185-39-3) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylpentanoic acid
Also Known As: 2,2-Dimethylpentanoic acid, 2,2-DIMETHYLVALERIC ACID, Neoheptanoic acid, Pentanoic acid, 2,2-dimethyl-, Valeric acid, 2,2-dimethyl-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | CCCC(C)(C)C(=O)O |
| InChIKey | ZRYCZAWRXHAAPZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethylpentanoic acid
Property Insights of 2,2-Dimethylpentanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylpentanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dimethylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpentanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Dimethylpentanoic acid?
The CAS number of 2,2-Dimethylpentanoic acid is 1185-39-3.
What is the molecular formula of 2,2-Dimethylpentanoic acid?
The molecular formula of 2,2-Dimethylpentanoic acid is C7H14O2.
What is the molecular weight of 2,2-Dimethylpentanoic acid?
The molecular weight of 2,2-Dimethylpentanoic acid is 130.09938 g/mol.
Where can I buy 2,2-Dimethylpentanoic acid?
You can request a quote for 2,2-Dimethylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.