Tert-butyl 2-methylpropanoate
TL;DR: Tert-butyl 2-methylpropanoate (CAS 16889-72-8) 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.
tert-butyl 2-methylpropanoate
Also Known As: tert-butyl 2-methylpropanoate, tert-butyl isobutyrate, t-butyl isobutyrate, iPrCO2tBu, tert-butyl 2-methylpropionate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 16889-72-8 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)(C)C |
| InChIKey | KVWOTUDBCFBGFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-methylpropanoate (CAS 16889-72-8), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: tert-butyl 2-methylpropanoate.
Chemical Property Profile of Tert-butyl 2-methylpropanoate
Property Insights of Tert-butyl 2-methylpropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-methylpropanoate 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
Frequently Asked Questions
What is the CAS number of Tert-butyl 2-methylpropanoate?
The CAS number of Tert-butyl 2-methylpropanoate is 16889-72-8.
What is the molecular formula of Tert-butyl 2-methylpropanoate?
The molecular formula of Tert-butyl 2-methylpropanoate is C8H16O2.
What is the molecular weight of Tert-butyl 2-methylpropanoate?
The molecular weight of Tert-butyl 2-methylpropanoate is 144.12 g/mol.
Where can I buy Tert-butyl 2-methylpropanoate?
You can request a quote for Tert-butyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.