| CAS Number | 23659-45-2 |
| Catalog Number | AG00BHYN(AGN-PC-0NIN2P) |
| Chemical Name | Tetrahydro-2-(1-methylethyl)-4H-pyran-4-one |
| IUPAC Name | 2-propan-2-yloxan-4-one |
| InChI | InChI=1S/C8H14O2/c1-6(2)8-5-7(9)3-4-10-8/h6,8H,3-5H2,1-2H3 |
| InChI Key | CRSWIMMUXWVIFI-UHFFFAOYSA-N |
| MDL Number | MFCD19440719 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | C1C(CCOC1C(C)C)=O |
| Synonyms | 23659-45-2,
2-isopropyltetrahydro-4H-pyran-4-one,
2-Isopropyldihydro-2H-pyran-4(3H)-one,
2-(propan-2-yl)oxan-4-one,
CRSWIMMUXWVIFI-UHFFFAOYSA-N,
4H-Pyran-4-one, tetrahydro-2-(1-methylethyl)-,
2-Isopropyloxan-4-one,
SCHEMBL15683021,
2-isopropyltetrahydropyran-4-one,
2-isopropyl-tetrahydro-pyran-4-one,
MFCD19440719,
AKOS013422551,
FT-0741465,
A-6825,
Tetrahydro-2-(1-methylethyl)-4H-pyran-4-one,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number