Basic information
- Standard SMILES
CCCCCCC#Cc1cscc1/C=C/C(=O)O- InChIKey
JLCZWLMRBJXWDB-MDZDMXLPSA-N- Molecular formula
- C15H18O2S
- Average molar mass
- 262.4 g/mol
Names & identifiers
- Preferred name
- (E)-3-[4-(1-Octynyl)-3-thienyl]prop-2-enoic acid
- IUPAC
- (E)-3-(4-oct-1-ynylthiophen-3-yl)prop-2-enoic acid
Names & synonyms
SCHEMBL10668112JLCZWLMRBJXWDB-MDZDMXLPSA-N(E)-3-[4-(1-Octynyl)-3-thienyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 20147160
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
1 records
Compound notes
Loading…