3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
TL;DR: 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid (CAS 146000-39-7) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
Also Known As: 3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid, t-butyl dimethylmalonate, NCIOpen2_000833, 2,2-dimethylmalonic acid mono-t-butyl ester, 2-(Tert-butoxycarbonyl)-2-methylpropanoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
| SMILES | CC(C)(C)OC(=O)C(C)(C)C(=O)O |
| InChIKey | OQXONLSMRNDAOW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
Property Insights of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid has 1 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 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid?
The CAS number of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid is 146000-39-7.
What is the molecular formula of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid?
The molecular formula of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid is C9H16O4.
What is the molecular weight of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid?
The molecular weight of 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid is 188.10486 g/mol.
Where can I buy 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid?
You can request a quote for 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.