| CAS Number | 41043-87-2 |
| Catalog Number | AG01C2DJ(AGN-PC-0NJWMS) |
| Chemical Name | 2-(2,2-dimethylpropanoyl)cyclohexan-1-one |
| IUPAC Name | 2-(2,2-dimethylpropanoyl)cyclohexan-1-one |
| InChI | InChI=1S/C11H18O2/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h8H,4-7H2,1-3H3 |
| InChI Key | PSKHBOYPKJSALS-UHFFFAOYSA-N |
| MDL Number | MFCD16091106 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | CC(C(C1C(=O)CCCC1)=O)(C)C |
| Synonyms | 2-(2,2-Dimethylpropanoyl)cyclohexan-1-one,
41043-87-2,
2-Pivaloylcyclohexanone,
SCHEMBL18796201,
DTXSID90506945,
AKOS011021293,
2-(2',2'-dimethylpropionyl)cyclohexanone,
2-(2,2-dimethyl-propanoyl)-cyclohexan-1-one,
I14-21676,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number