Basic information
- Standard SMILES
O=C(O)/C=C/C(=O)O.c1cn(CC2CCCCCCC2)cn1- InChIKey
DNKHYRUVXOSNHU-WLHGVMLRSA-N- Molecular formula
- C16H24N2O4
- Average molar mass
- 308.37 g/mol
- Monoisotopic mass
- 308.17360725
Names & identifiers
- Preferred name
- 1-Cyclooctylmethylimidazole hydrogen fumarate
- IUPAC
- (E)-but-2-enedioic acid;1-(cyclooctylmethyl)imidazole
Names & synonyms
SCHEMBL11048194DNKHYRUVXOSNHU-WLHGVMLRSA-N1-cyclooctylmethylimidazole hydrogen fumarate
Database identifiers
- PubChem CID
- 20550237
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 269
Related reactions
1 records
Compound notes
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