(5S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane
PubChem CID: 5320421
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVZZUMCHPFHUOS-MFORYBBRSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.04 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.918 |
| Compound Name | (5S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6853126 |
| Inchi | InChI=1S/C15H26/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10-13H,5-9H2,1-4H3/t10?,11?,12?,13-,15?/m0/s1 |
| Smiles | CC1CCC23[C@H]1CC(C2(C)C)CCC3C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Psilostachya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients