| CAS Number | 54285-47-1 |
| Catalog Number | AG01A31S(AGN-PC-0WO2GS) |
| Chemical Name | Ethyl 2-ethyl-4-methyl-3-oxopentanoate |
| IUPAC Name | ethyl 2-ethyl-4-methyl-3-oxopentanoate |
| InChI | InChI=1S/C10H18O3/c1-5-8(9(11)7(3)4)10(12)13-6-2/h7-8H,5-6H2,1-4H3 |
| InChI Key | OQONSHOKYQHQLT-UHFFFAOYSA-N |
| MDL Number | MFCD00511277 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CC(C)C(C(CC)C(OCC)=O)=O |
| Synonyms | ethyl 2-ethyl-4-methyl-3-oxopentanoate,
54285-47-1,
AKOS010951812,
NE23320,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number