| CAS Number | 65857-18-3 |
| Catalog Number | AG01BTQF(AGN-PC-0NJIKN) |
| Chemical Name | 2-(tert-butyl)dihydro-2H-pyran-4(3H)-one |
| IUPAC Name | 2-tert-butyloxan-4-one |
| InChI | InChI=1S/C9H16O2/c1-9(2,3)8-6-7(10)4-5-11-8/h8H,4-6H2,1-3H3 |
| InChI Key | QXUVQKXIDSHNNN-UHFFFAOYSA-N |
| MDL Number | MFCD19650687 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC(C1OCCC(=O)C1)(C)C |
| Synonyms | 65857-18-3,
2-(tert-Butyl)dihydro-2H-pyran-4(3H)-one,
2-tert-butyloxan-4-one,
SCHEMBL2363850,
QXUVQKXIDSHNNN-UHFFFAOYSA-N,
AKOS013422763,
2-tert-butyldihydro-2H-pyran-4(3H)-one,
2-tert-butyl-dihydro-2H-pyran-4(3H)-one,
4H-Pyran-4-one, 2-(1,1-dimethylethyl)tetrahydro-,
2-(1,1-DIMETHYLETHYL)TETRAHYDRO-4H-PYRAN-4-ONE,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number