Basic information
- Standard SMILES
COc1ccc(C(C)(C)C#CC#N)cc1C=O- InChIKey
SJYRHAYURBHOIZ-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 5-(3-Cyano-1,1-dimethyl-2-propynyl)-2-methoxybenzaldehyde
- IUPAC
- 4-(3-formyl-4-methoxyphenyl)-4-methylpent-2-ynenitrile
Names & synonyms
SCHEMBL7591252SJYRHAYURBHOIZ-UHFFFAOYSA-N5-(3-Cyano-1,1-dimethyl-2-propynyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066423
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 390
Related reactions
4 records
Compound notes
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