2,2-Dimethylbutanoic acid
TL;DR: 2,2-Dimethylbutanoic acid (CAS 595-37-9) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylbutanoic acid
Also Known As: 2,2-Dimethylbutanoic acid, 2,2-DIMETHYLBUTYRIC ACID, Dimebutic Acid, Neohexanoic acid, Acido dimebutico
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
| Density | 0.928 @25 °C |
Chemical Identifiers
| CAS Number | 595-37-9 |
|---|---|
| SMILES | CCC(C)(C)C(=O)O |
| InChIKey | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylbutanoic acid (CAS 595-37-9), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2,2-dimethylbutanoic acid.
Chemical Property Profile of 2,2-Dimethylbutanoic acid
Property Insights of 2,2-Dimethylbutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dimethylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylbutanoic 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
Frequently Asked Questions
What is the CAS number of 2,2-Dimethylbutanoic acid?
The CAS number of 2,2-Dimethylbutanoic acid is 595-37-9.
What is the molecular formula of 2,2-Dimethylbutanoic acid?
The molecular formula of 2,2-Dimethylbutanoic acid is C6H12O2.
What is the molecular weight of 2,2-Dimethylbutanoic acid?
The molecular weight of 2,2-Dimethylbutanoic acid is 116.08 g/mol.
Where can I buy 2,2-Dimethylbutanoic acid?
You can request a quote for 2,2-Dimethylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.