Diisopropylacetic acid
TL;DR: Diisopropylacetic acid (CAS 32118-53-9) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-propan-2-ylbutanoic acid
Also Known As: 2-isopropyl-3-methylbutanoic acid, Diisopropylacetic acid, 3-methyl-2-(propan-2-yl)butanoic acid, 3-methyl-2-propan-2-ylbutanoic acid, dii-propylacetic acid
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 32118-53-9 |
|---|---|
| SMILES | CC(C)C(C(C)C)C(=O)O |
| InChIKey | GSZKHLKKYPBXKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropylacetic acid (CAS 32118-53-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-methyl-2-propan-2-ylbutanoic acid.
Chemical Property Profile of Diisopropylacetic acid
Property Insights of Diisopropylacetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Diisopropylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropylacetic 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 Diisopropylacetic acid?
The CAS number of Diisopropylacetic acid is 32118-53-9.
What is the molecular formula of Diisopropylacetic acid?
The molecular formula of Diisopropylacetic acid is C8H16O2.
What is the molecular weight of Diisopropylacetic acid?
The molecular weight of Diisopropylacetic acid is 144.12 g/mol.
Where can I buy Diisopropylacetic acid?
You can request a quote for Diisopropylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Diisopropylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.