Basic information
- Standard SMILES
CCCCCCC#Cc1ccoc1/C=C/C(=O)O- InChIKey
IMRQSRLMAYUMKI-MDZDMXLPSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
Names & identifiers
- Preferred name
- (E)-3-[3-(1-Octynyl)-2-furanyl]prop-2-enoic acid
- IUPAC
- (E)-3-(3-oct-1-ynylfuran-2-yl)prop-2-enoic acid
Names & synonyms
SCHEMBL10667131IMRQSRLMAYUMKI-MDZDMXLPSA-N(E)-3-[3-(1-Octynyl)-2-furanyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 20147178
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
1 records
Compound notes
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