Basic information
- Standard SMILES
CC/C=C/C1(CCC(=O)CC)Cc2cc(OC)ccc2C1=O- InChIKey
UQDINTMKDOQEQR-UXBLZVDNSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
Names & identifiers
- Preferred name
- 2-[(1E)-1-butenyl]-5-methoxy-2-(3-oxopentyl)-1-indanone
- IUPAC
- 2-[(E)-but-1-enyl]-5-methoxy-2-(3-oxopentyl)-3H-inden-1-one
Names & synonyms
SCHEMBL2419840UQDINTMKDOQEQR-UXBLZVDNSA-N2-[(1E)-1-butenyl]-5-methoxy-2-(3-oxopentyl)-1-indanone
Database identifiers
- PubChem CID
- 21990882
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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