Basic information
- Standard SMILES
CCC1(CCC(=O)CCCc2cccc(OC)c2)C(=O)CCC1=O- InChIKey
DLOAARVMUIDAQQ-UHFFFAOYSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-2-[6-(m-methoxyphenyl)-3-oxohexyl]-1,3-cyclopentanedione
- IUPAC
- 2-ethyl-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione
Names & synonyms
SCHEMBL11858706DLOAARVMUIDAQQ-UHFFFAOYSA-N2-ethyl-2-[6-(m-methoxyphenyl)-3-oxohexyl]-1,3-cyclopentanedione
Database identifiers
- PubChem CID
- 21485569
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
4 records
Compound notes
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