Basic information
- Standard SMILES
COc1cccc(CCCC(=O)CCC2(C(C)C)C(=O)CCC2=O)c1- InChIKey
YYVWBHUQUYLOBF-UHFFFAOYSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19875937
Names & identifiers
- Preferred name
- 2-Isopropyl-2-(6-m-methoxyphenyl-3-oxohexyl)cyclopentane-1,3-dione
- IUPAC
- 2-[6-(3-methoxyphenyl)-3-oxohexyl]-2-propan-2-ylcyclopentane-1,3-dione
Names & synonyms
SCHEMBL11856512YYVWBHUQUYLOBF-UHFFFAOYSA-N2-isopropyl-2-(6-m-methoxyphenyl-3-oxohexyl)cyclopentane-1,3-dione
Database identifiers
- PubChem CID
- 21485475
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
4 records
Compound notes
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