Basic information
- Standard SMILES
CCC(=O)C(CCC(=CCCc1ccc2c(c1)OCO2)CC)C(C)=O- InChIKey
YIVXSCJGRTYXIN-UHFFFAOYSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-Ethyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl]-2,4-hexanedione
- IUPAC
- 3-[6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]hexane-2,4-dione
Names & synonyms
SCHEMBL11555593YIVXSCJGRTYXIN-UHFFFAOYSA-N3-[3-Ethyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl]-2,4-hexanedione
Database identifiers
- PubChem CID
- 514303
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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