Propanoic acid, 1,1-dimethylpropyl ester
TL;DR: Propanoic acid, 1,1-dimethylpropyl ester (CAS 34949-22-9) 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.
2-methylbutan-2-yl propanoate
Also Known As: 2-methylbutan-2-yl propanoate, tert-pentyl propionate, Propanoic acid, 1,1-dimethylpropyl ester, 1,1-dimethylpropylpropionate, Propionic acid tert-amyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 34949-22-9 |
|---|---|
| SMILES | CCC(=O)OC(C)(C)CC |
| InChIKey | RHSLWHLBYFOBAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 1,1-dimethylpropyl ester (CAS 34949-22-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-methylbutan-2-yl propanoate.
Chemical Property Profile of Propanoic acid, 1,1-dimethylpropyl ester
Property Insights of Propanoic acid, 1,1-dimethylpropyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 1,1-dimethylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 1,1-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 1,1-dimethylpropyl ester 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 Propanoic acid, 1,1-dimethylpropyl ester?
The CAS number of Propanoic acid, 1,1-dimethylpropyl ester is 34949-22-9.
What is the molecular formula of Propanoic acid, 1,1-dimethylpropyl ester?
The molecular formula of Propanoic acid, 1,1-dimethylpropyl ester is C8H16O2.
What is the molecular weight of Propanoic acid, 1,1-dimethylpropyl ester?
The molecular weight of Propanoic acid, 1,1-dimethylpropyl ester is 144.12 g/mol.
Where can I buy Propanoic acid, 1,1-dimethylpropyl ester?
You can request a quote for Propanoic acid, 1,1-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 1,1-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 1,1-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.