Ethyl 3,3,4-trimethylpentanoate
TL;DR: Ethyl 3,3,4-trimethylpentanoate (CAS 80246-74-8) 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.
ethyl 3,3,4-trimethylpentanoate
Also Known As: Ethyl 3,3,4-trimethylpentanoate, ethyl 3,3,4-trimethyl pentanoate, 3,3,4-trimethyl-pentanoic acid ethyl ester, 3,3,4-Trimethylvaleric acid ethyl ester, 3,3,4-Trimethylpentanoic acid ethyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.6218 |
| 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 | 147.91757 |
Chemical Identifiers
| CAS Number | 80246-74-8 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)C(C)C |
Product Overview
Ethyl 3,3,4-trimethylpentanoate (CAS 80246-74-8), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl 3,3,4-trimethylpentanoate.
Chemical Property Profile of Ethyl 3,3,4-trimethylpentanoate
Property Insights of Ethyl 3,3,4-trimethylpentanoate
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3,4-trimethylpentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,3,4-trimethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3,4-trimethylpentanoate 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 Ethyl 3,3,4-trimethylpentanoate?
The CAS number of Ethyl 3,3,4-trimethylpentanoate is 80246-74-8.
What is the molecular formula of Ethyl 3,3,4-trimethylpentanoate?
The molecular formula of Ethyl 3,3,4-trimethylpentanoate is C10H20O2.
What is the molecular weight of Ethyl 3,3,4-trimethylpentanoate?
The molecular weight of Ethyl 3,3,4-trimethylpentanoate is 172.15 g/mol.
Where can I buy Ethyl 3,3,4-trimethylpentanoate?
You can request a quote for Ethyl 3,3,4-trimethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,4-trimethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,4-trimethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.