1,2-Longidione
PubChem CID: 534856
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Longidione, 3,3,7-trimethyltricyclo(5.5.0.02,10)dodecane-8,9-dione, 3,3,7-trimethyltricyclo[5.5.0.02,10]dodecane-8,9-dione, 4439-95-6 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,7-trimethyltricyclo[5.5.0.02,10]dodecane-8,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UNRUQXSWVRAKDG-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.353 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.995 |
| Compound Name | 1,2-Longidione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3404017999999995 |
| Inchi | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(16)13(15)17/h9-11H,4-8H2,1-3H3 |
| Smiles | CC1(CCCC2(C3C1C(CC3)C(=O)C2=O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients