Basic information
- Standard SMILES
COC(=O)C#CC(C)(C)c1ccc(OC)c(C=O)c1- InChIKey
VVGYYHALQQYPPY-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- 5-(1,1-Dimethyl-3-methoxycarbonyl-2-propynyl)-2-methoxybenzaldehyde
- IUPAC
- methyl 4-(3-formyl-4-methoxyphenyl)-4-methylpent-2-ynoate
Names & synonyms
SCHEMBL7585928VVGYYHALQQYPPY-UHFFFAOYSA-N5-(1,1-Dimethyl-3-methoxycarbonyl-2-propynyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066495
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
4 records
Compound notes
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