Octahydro-5H-inden-5-one
Basic information
- CAS
5686-84-0- Standard SMILES
O=C1CCC2CCCC2C1- InChIKey
FSUBUYXKSKDDHL-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- Octahydro-5H-inden-5-one
- IUPAC
- 1,2,3,3a,4,6,7,7a-octahydroinden-5-one
- English name
- 5H-Inden-5-one, octahydro-
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
Octahydro-5H-inden-5-one5686-84-01,2,3,3a,4,6,7,7a-octahydroinden-5-oneHexahydro-1H-inden-5(6H)-oneNSC20781octahydro-1H-inden-5-oneSCHEMBL11593525DTXSID50972288NSC-20781(+/-)-bicyclo[4.3.0]nonan-3-oneEN300-71926635H-Inden-5-one, octahydro-
Database identifiers
- CAS
5686-84-0- PubChem CID
- 228145
- DTXSID
DTXSID50972288
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 102 · 102-104 °C(Press: 15 Torr)
- Density
- 0.9835 g/cm3 · 0.9835 g/cm3(Temp: 25 °C)
Chemistry & industry
Applications
UsesOctahydro-5H-inden-5-one is a bicyclic compound and ketone derivative of hydrindane . It can be useful in the study of stereoisomerism of hydrindane and its derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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