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Basic information
- Standard SMILES
C=CCOc1cc(C)c(C=O)c(C)c1C- InChIKey
URJYVJXVODXCSD-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 4-Allyloxy-2,3,6-trimethyl-benzaldehyde
- IUPAC
- 2,3,6-trimethyl-4-prop-2-enoxybenzaldehyde
Names & synonyms
SCHEMBL10753149URJYVJXVODXCSD-UHFFFAOYSA-N4-allyloxy-2,3,6-trimethyl-benzaldehyde
Database identifiers
- PubChem CID
- 20209983
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
6 records
Compound notes
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