Basic information
- Standard SMILES
CCCCCCC#Cc1cscc1C=O- InChIKey
QUOVVVCFIHBQBJ-UHFFFAOYSA-N- Molecular formula
- C13H16OS
- Average molar mass
- 220.33 g/mol
- Monoisotopic mass
- 220.0921863
Names & identifiers
- Preferred name
- 4-(Octynyl)-3-thiophenecarboxaldehyde
- IUPAC
- 4-oct-1-ynylthiophene-3-carbaldehyde
Names & synonyms
SCHEMBL10666989QUOVVVCFIHBQBJ-UHFFFAOYSA-N4-(octynyl)-3-thiophenecarboxaldehyde4-(1-Octynyl)thiophene-3-carboxaldehyde
Database identifiers
- PubChem CID
- 20147158
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
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