Basic information
- Standard SMILES
COC(=O)C#CC(C)(C)c1ccc(OC)cc1- InChIKey
FCZHDVRJVZRZAX-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- 4-(1,1-Dimethyl-3-methoxycarbonyl-2-propynyl)anisole
- IUPAC
- methyl 4-(4-methoxyphenyl)-4-methylpent-2-ynoate
Names & synonyms
SCHEMBL7586544FCZHDVRJVZRZAX-UHFFFAOYSA-N4-(1,1-Dimethyl-3-methoxycarbonyl-2-propynyl)anisole
Database identifiers
- PubChem CID
- 19066446
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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