Basic information
- Standard SMILES
CC#CC(C)(C)c1ccc(OC)c(C=O)c1- InChIKey
VLPGJWOPIMVLHQ-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 5-(1,1-Dimethyl-2-butynyl)-2-methoxybenzaldehyde
- IUPAC
- 2-methoxy-5-(2-methylpent-3-yn-2-yl)benzaldehyde
Names & synonyms
SCHEMBL7591027VLPGJWOPIMVLHQ-UHFFFAOYSA-N5-(1,1-Dimethyl-2-butynyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066439
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
4 records
Compound notes
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