Basic information
- Standard SMILES
CC(C)(C)c1cc(C=O)no1- InChIKey
RALYCNUPYDXZFQ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
Names & identifiers
- Preferred name
- 5-(Tert-butyl)isoxazole-3-carbaldehyde
- IUPAC
- 5-tert-butyl-1,2-oxazole-3-carbaldehyde
Names & synonyms
5-(tert-butyl)isoxazole-3-carbaldehyde88721-64-65-TERT-BUTYL-1,2-OXAZOLE-3-CARBALDEHYDESCHEMBL37669873-Isoxazolecarboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)RALYCNUPYDXZFQ-UHFFFAOYSA-N5-t-butyl-isoxazole-3-carbaldehydeNDA72164DB-0781405-(1,1-dimethylethyl)-3-IsoxazolecarboxaldehydeEN300-1154368F1909-8121
Show more names
Z1255497510
Database identifiers
- PubChem CID
- 45083802
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
4 records
Compound notes
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