2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
PubChem CID: 131752035
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol, CHEBI:184196, DTXSID201134933, (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol, 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-indene-1,2-diol, 9CI, 1H-Indene-1,2-diol, 2,4,5,7a-tetrahydro-1,4,4,7a-tetramethyl-, [1R-(1I+/-,2I(2),7aI(2))]-, 99901-24-3 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | SKBCVUCDJRKPAH-RTXFEEFZSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol, 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-indene-1,2-diol, 9CI |
| Heavy Atom Count | 15.0 |
| Compound Name | 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol |
| Description | From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits. |
| Exact Mass | 208.146 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 208.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol |
| Total Atom Stereocenter Count | 3.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1 |
| Smiles | C[C@@]12C=CCC(C1=C[C@H]([C@]2(C)O)O)(C)C |
| Xlogp | 1.7 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:fooddb_chem_all