1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one
PubChem CID: 85517881
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| Compound Synonyms | CHEBI:168238, DTXSID401019719, 97844-16-1, 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one, 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one, 1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one, 2,2,6,7-tetramethylbicyclo(4.3.0)nona-1(9),4-dien-8-one, SCHEMBL18339273, FEMA 4522, DTXCID701477633, 2,2,6,7-tetramethyl bicyclo(4.3.0)nona-4,9(1)-dien-8-one, 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien, 1,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-2H-inden-2-one, 9CI |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | KTDAEZJBJUWAPC-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-2H-inden-2-one, 9CI, 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien, 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one |
| Heavy Atom Count | 14.0 |
| Compound Name | 1,4,4,7a-Tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one |
| Description | From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one is found in quince and fruits. |
| Exact Mass | 190.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 190.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3 |
| Smiles | CC1C(=O)C=C2C1(C=CCC2(C)C)C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H18O |
- 1. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:fooddb_chem_all