Basic information
- Standard SMILES
CCCCc1ncc(COC(C)=O)n1C(C)=O- InChIKey
RNLUGWKQXKQHMQ-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-2-n-butyl 5-acetoxymethyl imidazole
- IUPAC
- (3-acetyl-2-butylimidazol-4-yl)methyl acetate
Names & synonyms
SCHEMBL7268388RNLUGWKQXKQHMQ-UHFFFAOYSA-N1-acetyl-2-n-butyl 5-acetoxymethyl imidazole1-acetyl-2-n-butyl 5 (acetoxymethyl)imidazole1-acetyl-2-n-butyl-5-(acetoxymethyl)imidazole1-acetyl-2-n-butyl-5 -(acetoxymethyl)imidazole
Database identifiers
- PubChem CID
- 19793547
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
5 records
Compound notes
Loading…