Basic information
- Standard SMILES
CCCCC1(CCC(=O)CC)Cc2cc(OC)ccc2C1=O- InChIKey
PPGYQOBSFSEBIG-UHFFFAOYSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-5-methoxy-2-(3-oxo-pentyl)-1-indanone
- IUPAC
- 2-butyl-5-methoxy-2-(3-oxopentyl)-3H-inden-1-one
Names & synonyms
SCHEMBL2417911PPGYQOBSFSEBIG-UHFFFAOYSA-N2-butyl-5-methoxy-2-(3-oxo-pentyl)-1-indanone
Database identifiers
- PubChem CID
- 21990927
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
4 records
Compound notes
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