4H-Indene, 5,7a-dihydro-1,4,4,7a-tetramethyl-
PubChem CID: 528761
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| Compound Synonyms | 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene, 4H-Indene, 5,7a-dihydro-1,4,4,7a-tetramethyl-, 1,4,4,7a-tetramethyl-5H-indene, 97844-14-9, DTXSID70336060, CHEBI:191488, XOFDOXJFXCEFDE-UHFFFAOYSA-N, 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,7,9(1)-triene, 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene, 5,7alpha-Dihydro-1,4,4,7alpha-tetramethyl-4H-indene, 2,2,6,7-tetramethylbicyclo-[4.3.0]nona-4,7,9(1)-triene, 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4,7-triene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | XOFDOXJFXCEFDE-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4,7-triene |
| Heavy Atom Count | 13.0 |
| Compound Name | 4H-Indene, 5,7a-dihydro-1,4,4,7a-tetramethyl- |
| Description | Constituent of quince fruit flavour (Cydonia oblonga). 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene is found in quince and fruits. |
| Exact Mass | 174.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.141 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 174.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,4,7a-tetramethyl-5H-indene |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3 |
| Smiles | CC1=CC=C2C1(C=CCC2(C)C)C |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H18 |
- 1. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:fooddb_chem_all