| CAS Number | 1229454-44-7 |
| Catalog Number | AG00HH5U |
| Chemical Name | 5-(TERT-BUTYLDIMETHYLSILYLOXY)-4,4-DIMETHYL-3-OXOPENTANENITRILE |
| IUPAC Name | 5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-oxopentanenitrile |
| InChI | InChI=1S/C13H25NO2Si/c1-12(2,3)17(6,7)16-10-13(4,5)11(15)8-9-14/h8,10H2,1-7H3 |
| InChI Key | MBZKDLVMZGJBTA-UHFFFAOYSA-N |
| MDL Number | MFCD26399496 |
| Molecular Formula | C13H25NO2Si |
| Molecular Weight | 255.4286 |
| SMILES | CC([Si](OCC(C(CC#N)=O)(C)C)(C)C)(C)C |
| Synonyms | 1229454-44-7,
5-(tert-Butyldimethylsilyloxy)-4,4-dimethyl-3-oxopentanenitrile,
5-((tert-Butyldimethylsilyl)oxy)-4,4-dimethyl-3-oxopentanenitrile,
SCHEMBL2482629,
MFCD26399496,
AKOS030627696,
ZINC201324226,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.433g/mol |
| Monoisotopic Mass | 255.165g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number