Basic information
- Standard SMILES
N#CC(O)c1cc(/C=C/C2CCCCC2)cs1- InChIKey
SOLGTEMOYXNTMD-VOTSOKGWSA-N- Molecular formula
- C14H17NOS
- Average molar mass
- 247.36 g/mol
- Monoisotopic mass
- 247.10308534
Names & identifiers
- Preferred name
- (E)-2-(4-(2-cyclohexylvinyl)thiophen-2-yl)-2-hydroxyacetonitrile
- IUPAC
- 2-[4-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2-hydroxyacetonitrile
Names & synonyms
SCHEMBL15129122SOLGTEMOYXNTMD-VOTSOKGWSA-N(E)-2-(4-(2-cyclohexylvinyl)thiophen-2-yl)-2-hydroxyacetonitrile
Database identifiers
- PubChem CID
- 86694599
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
1 records
Compound notes
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