Basic information
- Standard SMILES
N#CCC(=O)c1ccc(OCC2CCCCC2)s1- InChIKey
MRBACKKLZLDGEU-UHFFFAOYSA-N- Molecular formula
- C14H17NO2S
- Average molar mass
- 263.36 g/mol
Names & identifiers
- Preferred name
- 3-(5-(Cyclohexylmethoxy)thiophen-2-yl)-3-oxopropanenitrile
- IUPAC
- 3-[5-(cyclohexylmethoxy)thiophen-2-yl]-3-oxopropanenitrile
Names & synonyms
SCHEMBL15129182MRBACKKLZLDGEU-UHFFFAOYSA-N3-(5-(cyclohexylmethoxy)thiophen-2-yl)-3-oxopropanenitrile
Database identifiers
- PubChem CID
- 86694589
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
1 records
Compound notes
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