Ethyl dimethylhexanoate
TL;DR: Ethyl dimethylhexanoate (CAS 94247-76-4) 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 2,2-dimethylhexanoate
Also Known As: Ethyl dimethylhexanoate, ethyl 2,2-dimethylhexanoate, EINECS 304-246-2, ethyl 2,2-dimethylcaproate, Ethyl 2,2-dimethyl-caproate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 138.774 |
Chemical Identifiers
| CAS Number | 94247-76-4 |
|---|---|
| SMILES | CCCCC(C)(C)C(=O)OCC |
Product Overview
Ethyl dimethylhexanoate (CAS 94247-76-4), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl 2,2-dimethylhexanoate.
Chemical Property Profile of Ethyl dimethylhexanoate
Property Insights of Ethyl dimethylhexanoate
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl dimethylhexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl dimethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl dimethylhexanoate 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 dimethylhexanoate?
The CAS number of Ethyl dimethylhexanoate is 94247-76-4.
What is the molecular formula of Ethyl dimethylhexanoate?
The molecular formula of Ethyl dimethylhexanoate is C10H20O2.
What is the molecular weight of Ethyl dimethylhexanoate?
The molecular weight of Ethyl dimethylhexanoate is 172.15 g/mol.
Where can I buy Ethyl dimethylhexanoate?
You can request a quote for Ethyl dimethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dimethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dimethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.