Butanoic acid, 3-methyl-, trimethylsilyl ester
TL;DR: Butanoic acid, 3-methyl-, trimethylsilyl ester (CAS 6339-75-9) is a chemical compound with molecular formula C8H18O2Si and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 3-methylbutanoate
Also Known As: Trimethylsilyl 3-methylbutanoate, Isovaleric acid, trimethylsilyl ester, TRIMETHYLSILYL 3-METHYLBUTYRATE, 3-Methyl butanoic acid, TMS, Butanoic acid, 3-methyl-, trimethylsilyl ester
| Molecular Formula | C8H18O2Si |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 2.4106 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.1076 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 6339-75-9 |
|---|---|
| SMILES | CC(C)CC(=O)O[Si](C)(C)C |
| InChIKey | FEUVPJCEKKEDPZ-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-methyl-, trimethylsilyl ester (CAS 6339-75-9), with molecular formula C8H18O2Si and molecular weight 174.11 g/mol. IUPAC: trimethylsilyl 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, trimethylsilyl ester
Property Insights of Butanoic acid, 3-methyl-, trimethylsilyl ester
The XLogP value of 2.4106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-methyl-, trimethylsilyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-, trimethylsilyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, trimethylsilyl 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-methyl-, trimethylsilyl ester?
The CAS number of Butanoic acid, 3-methyl-, trimethylsilyl ester is 6339-75-9.
What is the molecular formula of Butanoic acid, 3-methyl-, trimethylsilyl ester?
The molecular formula of Butanoic acid, 3-methyl-, trimethylsilyl ester is C8H18O2Si.
What is the molecular weight of Butanoic acid, 3-methyl-, trimethylsilyl ester?
The molecular weight of Butanoic acid, 3-methyl-, trimethylsilyl ester is 174.11 g/mol.
Where can I buy Butanoic acid, 3-methyl-, trimethylsilyl ester?
You can request a quote for Butanoic acid, 3-methyl-, trimethylsilyl 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-methyl-, trimethylsilyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, trimethylsilyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.