Basic information
- CAS
73013-93-1- Standard SMILES
CC1(C)CCC(=O)C2=C1CCC2- InChIKey
NWPCBUVQCWYOMG-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-
- IUPAC
- 7,7-dimethyl-2,3,5,6-tetrahydro-1H-inden-4-one
Names & synonyms
73013-93-1NSC7080574H-Inden-4-one, 1,2,3,5,6,7-hexahydro-7,7-dimethyl-DTXSID20327963NSC-7080577,7-Dimethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one
Database identifiers
- CAS
73013-93-1- PubChem CID
- 398337
- DTXSID
DTXSID20327963
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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