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Basic information
- Standard SMILES
CCC1C2CCC(=O)C=C2CCC1C1CCC(=O)C1- InChIKey
CHYRMAWQOYRASZ-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Names & identifiers
- Preferred name
- 5-ethyl-6-(3-oxocyclopentyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
- IUPAC
- 5-ethyl-6-(3-oxocyclopentyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Database identifiers
- PubChem CID
- 259031
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
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Compound notes
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