Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C13H18O
- Molecular weight
- 190.28 g/mol
- IUPAC name
- 2-methyl-3-(4-propan-2-ylphenyl)propanal
- SMILES
- CC(C)C1=CC=C(C=C1)CC(C)C=O
- InChIKey
- ZFNVDHOSLNRHNN-UHFFFAOYSA-N
- XLogP
- 3.3
- Polar surface area
- 17.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- aldehydes
- Mass
- 190.136
Show 3 more facts
- canonical SMILES
- CC(C)C1=CC=C(C=C1)CC(C)C=O
- chemical formula
- C₁₃H₁₈O
- found in taxon
- Cyathocline purpurea
Sources (2)
via Wikidata · CC0