alpha-Farnesene-d6
PubChem CID: 10330772
Connections displayed (default: 10).
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| Compound Synonyms | alpha-Farnesene-d6, 162189-16-4, 3,6-Dibromo-9H-fluoren-9-one, 3,6-Dibromo-9-fluorenone, 3,6-Dibromofluorene-9-one, NSC 86559, |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 6.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,6E)-12,12,12-trideuterio-3,7-dimethyl-11-(trideuteriomethyl)dodeca-1,3,6,10-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXENHBSYCFFKJS-ZWWAVPAWSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.182 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.996 |
| Compound Name | alpha-Farnesene-d6 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.225 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.4720403861415985 |
| Inchi | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+/i2D3,3D3 |
| Smiles | [2H]C([2H])([2H])C(=CCC/C(=C/C/C=C(\C)/C=C)/C)C([2H])([2H])[2H] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Echinops Grijsii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Solanum Berthaultii (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients