| CAS Number | 1250407-40-9 |
| Catalog Number | AG01AIU9(AGN-PC-0WODK0) |
| Chemical Name | 1-Methoxy-4-methylpentan-3-one |
| IUPAC Name | 1-methoxy-4-methylpentan-3-one |
| InChI | InChI=1S/C7H14O2/c1-6(2)7(8)4-5-9-3/h6H,4-5H2,1-3H3 |
| InChI Key | VUEKVRBSKXKONO-UHFFFAOYSA-N |
| MDL Number | MFCD14661410 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | COCCC(C(C)C)=O |
| Synonyms | 1-methoxy-4-methylpentan-3-one,
1250407-40-9,
SCHEMBL1911564,
1-Methoxy-4-methyl-3-pentanone,
ZINC42436363,
AKOS010673266,
MCULE-8480801762,
NE29508,
EN300-79044,
|
| Complexity | 86.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.187g/mol |
| Monoisotopic Mass | 130.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number