3-(3,3-Dimethylbutyl)cycloheptanone
3-(3,3-dimethylbutyl)cycloheptan-1-one
Also Known As: 3- cycloheptanone|3-(3,3-Dimethylbutyl)cycloheptanone|3-(3,3-dimethylbutyl)cycloheptan-1-one|Cycloheptanone, 3-(3,3-dimethylbutyl)-|3-(3,3-Dimethylbutyl)cycloheptanone #
CAS: 40564-95-2
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18271 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.18271 |
| Monoisotopic Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 40564-95-2 |
|---|---|
| SMILES | CC(C)(C)CCC1CCCCC(=O)C1 |
| InChIKey | VSTJKRMTNDBZND-UHFFFAOYSA-N |
Product Overview
3-(3,3-Dimethylbutyl)cycloheptanone (CAS 40564-95-2), with molecular formula C13H24O and molecular weight 196.18271 g/mol. IUPAC: 3-(3,3-dimethylbutyl)cycloheptan-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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