Ethyl 5,5-dimethyl-3-oxo-octanoate
TL;DR: Ethyl 5,5-dimethyl-3-oxo-octanoate (CAS 212481-92-0) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-3-oxooctanoate
Also Known As: Ethyl 5,5-dimethyl-3-oxo-octanoate, ethyl 5,5-dimethyl-3-oxooctanoate, 3-Oxo-5,5-dimethyloctanoic acid ethyl ester, J1.223.699I, Octanoic acid, 5,5-dimethyl-3-oxo-, ethyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.7251 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 218.90712 |
Chemical Identifiers
| CAS Number | 212481-92-0 |
|---|---|
| SMILES | CCCC(C)(C)CC(=O)CC(=O)OCC |
Product Overview
Ethyl 5,5-dimethyl-3-oxo-octanoate (CAS 212481-92-0), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 5,5-dimethyl-3-oxooctanoate.
Chemical Property Profile of Ethyl 5,5-dimethyl-3-oxo-octanoate
Property Insights of Ethyl 5,5-dimethyl-3-oxo-octanoate
The XLogP value of 2.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,5-dimethyl-3-oxo-octanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 5,5-dimethyl-3-oxo-octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,5-dimethyl-3-oxo-octanoate has 0 hydrogen bond donor(s) and 3 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 5,5-dimethyl-3-oxo-octanoate?
The CAS number of Ethyl 5,5-dimethyl-3-oxo-octanoate is 212481-92-0.
What is the molecular formula of Ethyl 5,5-dimethyl-3-oxo-octanoate?
The molecular formula of Ethyl 5,5-dimethyl-3-oxo-octanoate is C12H22O3.
What is the molecular weight of Ethyl 5,5-dimethyl-3-oxo-octanoate?
The molecular weight of Ethyl 5,5-dimethyl-3-oxo-octanoate is 214.16 g/mol.
Where can I buy Ethyl 5,5-dimethyl-3-oxo-octanoate?
You can request a quote for Ethyl 5,5-dimethyl-3-oxo-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,5-dimethyl-3-oxo-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,5-dimethyl-3-oxo-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.