(3R,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene
PubChem CID: 53930425
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 | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Is Pains | False |
| Molecular Formula | C15H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQSPYJZCWMAJLU-SOUVJXGZSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (3R,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 208.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 208.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.0098118 |
| Inchi | InChI=1S/C15H28/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h5-6,12-15H,7-11H2,1-4H3/t13-,14-,15+/m0/s1 |
| Smiles | C[C@@H]1CC[C@@H](CC[C@H](C=CC1)C)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients