2-Acetyl-4-tert-butylcyclohexan-1-one
Basic information
- CAS
19980-50-8- Standard SMILES
CC(=O)C1CC(C(C)(C)C)CCC1=O- InChIKey
JKKVIIBTROLMFL-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 2-Acetyl-4-tert-butylcyclohexan-1-one
- IUPAC
- 2-acetyl-4-tert-butylcyclohexan-1-one
- English name
- 2-acetyl-4-tert-butylcyclohexan-1-one
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
2-Acetyl-4-tert-butylcyclohexan-1-one19980-50-82-acetyl-4-tert-butylcyclohexanoneEINECS 243-450-5SCHEMBL1133145DTXSID50941919JKKVIIBTROLMFL-UHFFFAOYSA-NAKOS0110197312-Acetyl-4-(tert-butyl)cyclohexan-1-oneDB-202762NS00048707EN300-1126196
Show more names
Cyclohexanone, 2-acetyl-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
19980-50-8- PubChem CID
- 89257
- DTXSID
DTXSID50941919- EC Number
- 243-450-5
- Nikkaji
- J280.413A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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