Methyl 2-hydroxy-3,3-dimethylbutanoate
TL;DR: Methyl 2-hydroxy-3,3-dimethylbutanoate (CAS 121129-31-5) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-hydroxy-3,3-dimethylbutanoate
Also Known As: Methyl 2-hydroxy-3,3-dimethylbutanoate, methyl 2-hydroxy-3,3-dimethybutyrate, Methyl 2-hydroxy-3,3-dimethyl-butanoate, Methyl2-hydroxy-3,3-dimethylbutanoate, methyl (+/-)-2-hydroxy-3,3-dimethylbutanoate
Technical Specifications
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.0943 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.0943 Da |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
| SMILES | CC(C)(C)C(C(=O)OC)O |
| InChIKey | YYAKMBGOMGURAY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-hydroxy-3,3-dimethylbutanoate
Property Insights of Methyl 2-hydroxy-3,3-dimethylbutanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-3,3-dimethylbutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-3,3-dimethylbutanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-hydroxy-3,3-dimethylbutanoate?
The CAS number of Methyl 2-hydroxy-3,3-dimethylbutanoate is 121129-31-5.
What is the molecular formula of Methyl 2-hydroxy-3,3-dimethylbutanoate?
The molecular formula of Methyl 2-hydroxy-3,3-dimethylbutanoate is C7H14O3.
What is the molecular weight of Methyl 2-hydroxy-3,3-dimethylbutanoate?
The molecular weight of Methyl 2-hydroxy-3,3-dimethylbutanoate is 146.0943 g/mol.
Where can I buy Methyl 2-hydroxy-3,3-dimethylbutanoate?
You can request a quote for Methyl 2-hydroxy-3,3-dimethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-hydroxy-3,3-dimethylbutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-hydroxy-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.