Ethyl 3,5,5-trimethylhexanoate
TL;DR: Ethyl 3,5,5-trimethylhexanoate (CAS 67707-75-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5,5-trimethylhexanoate
Also Known As: Ethyl 3,5,5-trimethylhexanoate, Trihenone, 3,5,5-Trimethyl-ethylcapronate, EINECS 266-959-4, RARECHEM AL BI 0197
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.0119 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 155.96344 |
Chemical Identifiers
| CAS Number | 67707-75-9 |
|---|---|
| SMILES | CCOC(=O)CC(C)CC(C)(C)C |
Product Overview
Ethyl 3,5,5-trimethylhexanoate (CAS 67707-75-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: ethyl 3,5,5-trimethylhexanoate.
Chemical Property Profile of Ethyl 3,5,5-trimethylhexanoate
Property Insights of Ethyl 3,5,5-trimethylhexanoate
The XLogP value of 3.0119 indicates that Ethyl 3,5,5-trimethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,5,5-trimethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5,5-trimethylhexanoate 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 3,5,5-trimethylhexanoate?
The CAS number of Ethyl 3,5,5-trimethylhexanoate is 67707-75-9.
What is the molecular formula of Ethyl 3,5,5-trimethylhexanoate?
The molecular formula of Ethyl 3,5,5-trimethylhexanoate is C11H22O2.
What is the molecular weight of Ethyl 3,5,5-trimethylhexanoate?
The molecular weight of Ethyl 3,5,5-trimethylhexanoate is 186.16 g/mol.
Where can I buy Ethyl 3,5,5-trimethylhexanoate?
You can request a quote for Ethyl 3,5,5-trimethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5,5-trimethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5,5-trimethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.