Ethyl 2,2-dimethyloctanoate
TL;DR: Ethyl 2,2-dimethyloctanoate (CAS 59415-01-9) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyloctanoate
Also Known As: Ethyl 2,2-dimethyloctanoate, Ethyl dimethyloctanoate, ethyl2,2-dimethyloctanoate, 2,2-Dimethyloctanoic acid ethyl ester, Octanoic acid,2,2-dimethyl-, ethyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 59415-01-9 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)OCC |
| InChIKey | SDPOPABRGIAPNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethyloctanoate (CAS 59415-01-9), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: ethyl 2,2-dimethyloctanoate.
Chemical Property Profile of Ethyl 2,2-dimethyloctanoate
Property Insights of Ethyl 2,2-dimethyloctanoate
The XLogP value of 4.4 indicates that Ethyl 2,2-dimethyloctanoate 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 2,2-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethyloctanoate 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 2,2-dimethyloctanoate?
The CAS number of Ethyl 2,2-dimethyloctanoate is 59415-01-9.
What is the molecular formula of Ethyl 2,2-dimethyloctanoate?
The molecular formula of Ethyl 2,2-dimethyloctanoate is C12H24O2.
What is the molecular weight of Ethyl 2,2-dimethyloctanoate?
The molecular weight of Ethyl 2,2-dimethyloctanoate is 200.18 g/mol.
Where can I buy Ethyl 2,2-dimethyloctanoate?
You can request a quote for Ethyl 2,2-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.