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(2R)-6-(2-hexadecoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

PubChem CID: 162914775

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Prediction Swissadme 0.0
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Inchi Key DQOFCGSBZMNJSK-RUZDIDTESA-N
Fcsp3 0.7666666666666667
Rotatable Bond Count 18.0
Heavy Atom Count 32.0
Compound Name (2R)-6-(2-hexadecoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Prediction Hob Swissadme 0.0
Exact Mass 442.381
Formal Charge 0.0
Monoisotopic Mass 442.381
Isotope Atom Count 0.0
Molecular Complexity 487.0
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 442.7
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-6-(2-hexadecoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -8.3585636
Inchi InChI=1S/C30H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-32-21-19-28-24(2)22-27-23-25(3)30(31)29(27)26(28)4/h22,25H,5-21,23H2,1-4H3/t25-/m1/s1
Smiles CCCCCCCCCCCCCCCCOCCC1=C(C2=C(C[C@H](C2=O)C)C=C1C)C
Xlogp 10.8
Defined Bond Stereocenter Count 0.0
Molecular Formula C30H50O2

  • 1. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Attalea Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Citrus Hassaku (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Coutarea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Crepidiastrum Sonchifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dipsacus Asper (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Duguetia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Eriostemon Spicatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Garcinia Pyrifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Greenwayodendron Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Hymenothrix Wislizenii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Jacaranda Chelonia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ophryosporus Floribundus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Payena Lucida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Phalaris Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Plumbagella Micrantha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Pteridium Aquilinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Rivina Humilis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Samadera Indica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenifolium (Plant) Rel Props:Source_db:cmaup_ingredients
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