Basic information
- Standard SMILES
CC(C)=CCCC(=O)C=Cc1ccc2c(c1)OCO2- InChIKey
GWNVGUGEDNXVMR-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
Names & identifiers
- Preferred name
- 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-7-methylocta-1,6-dien-3-one
Names & synonyms
7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-oneSCHEMBL11482626GWNVGUGEDNXVMR-UHFFFAOYSA-NDB-3073701-(3,4-methylenedioxyphenyl)-7-methyl-1,6-octadiene-3-one
Database identifiers
- PubChem CID
- 41981
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
2 records
Linked notes
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