1H-Inden-1-one, 7a-ethyloctahydro-
Basic information
- CAS
74895-97-9- Standard SMILES
CCC12CCCCC1CCC2=O- InChIKey
YKVXLDMZVJNKHD-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 7a-ethyloctahydro-
- IUPAC
- 7a-ethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
Names & synonyms
1H-Inden-1-one, 7a-ethyloctahydro-74895-97-9DTXSID909963877a-Ethyloctahydro-1H-inden-1-one
Database identifiers
- CAS
74895-97-9- PubChem CID
- 144685
- DTXSID
DTXSID90996387
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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