Basic information
- Standard SMILES
C#CCCCCOc1ccccc1CCC(=O)OC- InChIKey
FAUPCQUPLVSDPL-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
Names & identifiers
- Preferred name
- 2-[(5-Hexynyl)oxy]benzenepropanoic acid methyl ester
- IUPAC
- methyl 3-(2-hex-5-ynoxyphenyl)propanoate
Names & synonyms
SCHEMBL9118855FAUPCQUPLVSDPL-UHFFFAOYSA-N2[(5-hexynyl)oxy]benzenepropanoic acid methyl ester2-[(5-hexynyl)oxy]benzenepropanoic acid methyl ester
Database identifiers
- PubChem CID
- 53789448
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
5 records
Compound notes
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