| CAS Number | 36587-79-8 |
| Catalog Number | AG0037Y0(AGN-PC-02VP4M) |
| Chemical Name | 5-hydroxy-2,5-dimethylhexan-3-one |
| IUPAC Name | 5-hydroxy-2,5-dimethylhexan-3-one |
| InChI | InChI=1S/C8H16O2/c1-6(2)7(9)5-8(3,4)10/h6,10H,5H2,1-4H3 |
| InChI Key | BZTRLOJUDTVVMK-UHFFFAOYSA-N |
| MDL Number | MFCD24691968 |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.2114 |
| SMILES | OC(CC(C(C)C)=O)(C)C |
| Synonyms | 5-Hydroxy-2,5-dimethyl-3-hexanone,
36587-79-8,
5-Hydroxy-2,5-dimethylhexan-3-one,
SCHEMBL7917694,
CTK1A9972,
DTXSID80609035,
2,5-Dimethyl-5-hydroxy-3-hexanone,
ZINC146674744,
3-Hexanone, 5-hydroxy-2,5-dimethyl-,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.214g/mol |
| Monoisotopic Mass | 144.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number