Basic information
- CAS
69393-41-5- Standard SMILES
C=CC(C)(C)CCC(=O)c1cnc[nH]1- InChIKey
LERKAXHVNRZUBT-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
- IUPAC
- 1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one
- English name
- 1-(1H-Imidazol-4-yl)-4,4-dimethyl-5-hexen-1-one
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
1-(1H-imidazol-5-yl)-4,4-dimethylhex-5-en-1-one69393-41-5DTXSID90340548RefChem:222642DTXCID102916294(5)-(4',4'-Dimethyl-5'-hexenoyl)imidazole5-Hexen-1-one, 1-(1H-imidazol-4-yl)-4,4-dimethyl-LERKAXHVNRZUBT-UHFFFAOYSA-N1-(1H-Imidazol-4-yl)-4,4-dimethyl-5-hexen-1-one #1-(1H-Imidazol-4-yl)-4,4-dimethyl-5-hexen-1-one5-Hexen-1-one, 1-(1H-imidazol-5-yl)-4,4-dimethyl-
Database identifiers
- CAS
69393-41-5- PubChem CID
- 565601
- DTXSID
DTXSID90340548- Nikkaji
- J141.161F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 145 °C · 145 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 367.3 · 367.3±25.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 10.74 · 10.74±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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