Basic information
- Standard SMILES
COc1ccc(C(C)(C)C#CC#N)cc1- InChIKey
LKSLIYGWRRVUME-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 4-(3-Cyano-1,1-dimethyl-2-propynyl)anisole
- IUPAC
- 4-(4-methoxyphenyl)-4-methylpent-2-ynenitrile
Names & synonyms
SCHEMBL7591916LKSLIYGWRRVUME-UHFFFAOYSA-N4-(3-Cyano-1,1-dimethyl-2-propynyl)anisole
Database identifiers
- PubChem CID
- 19066475
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Related reactions
4 records
Compound notes
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