2-Tert-butyl-1-(1h-imidazol-1-yl)pentan-1-one
Basic information
- CAS
110577-44-1- Standard SMILES
CCCC(C(=O)n1ccnc1)C(C)(C)C- InChIKey
FSHJTAKRYIGTGX-UHFFFAOYSA-N- Molecular formula
- C12H20N2O
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.15756327
Names & identifiers
- Preferred name
- 2-Tert-butyl-1-(1h-imidazol-1-yl)pentan-1-one
- IUPAC
- 2-tert-butyl-1-imidazol-1-ylpentan-1-one
Names & synonyms
110577-44-12-(tert-Butyl)-1-(1H-imidazol-1-yl)pentan-1-one2-tert-butyl-1-(1h-imidazol-1-yl)pentan-1-oneDTXSID609117491H-1,2,4-Triazole, 1-(2-(1,1-dimethylethyl)-1-oxopentyl)-
Database identifiers
- CAS
110577-44-1- PubChem CID
- 184233
- DTXSID
DTXSID60911749
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
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Compound notes
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