Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester
TL;DR: Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester (CAS 69341-75-9) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3,3-dimethylbutanoate
Also Known As: tert-butyl 3,3-dimethylbutanoate, t-butyl t-butylacetate, Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester, J3.751.637F, 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 69341-75-9 |
|---|---|
| SMILES | CC(C)(C)CC(=O)OC(C)(C)C |
| InChIKey | JECSMAJWAQZWRS-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester (CAS 69341-75-9), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: tert-butyl 3,3-dimethylbutanoate.
Chemical Property Profile of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester
Property Insights of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl 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 Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester?
The CAS number of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester is 69341-75-9.
What is the molecular formula of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester?
The molecular formula of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester is C10H20O2.
What is the molecular weight of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester?
The molecular weight of Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester is 172.15 g/mol.
Where can I buy Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester?
You can request a quote for Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.