Methyl 3,3-dimethylbutyrate
TL;DR: Methyl 3,3-dimethylbutyrate (CAS 10250-48-3) 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.
methyl 3,3-dimethylbutanoate
Also Known As: Methyl tert-butylacetate, Methyl 3,3-dimethylbutanoate, Methyl 3,3-dimethylbutyrate, methyl t-butylacetate, Butanoic acid, 3,3-dimethyl-, methyl ester
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
| SMILES | CC(C)(C)CC(=O)OC |
| InChIKey | DXBOTVWRXLQVMG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3-dimethylbutyrate
Property Insights of Methyl 3,3-dimethylbutyrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3-dimethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethylbutyrate has 0 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 Methyl 3,3-dimethylbutyrate?
The CAS number of Methyl 3,3-dimethylbutyrate is 10250-48-3.
What is the molecular formula of Methyl 3,3-dimethylbutyrate?
The molecular formula of Methyl 3,3-dimethylbutyrate is C7H14O2.
What is the molecular weight of Methyl 3,3-dimethylbutyrate?
The molecular weight of Methyl 3,3-dimethylbutyrate is 130.09938 g/mol.
Where can I buy Methyl 3,3-dimethylbutyrate?
You can request a quote for Methyl 3,3-dimethylbutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3-dimethylbutyrate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3-dimethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.