This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

1-[(3aR,4R,5S,7aR)-3a,4,5,6,7,7a-Hexahydro-5-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone

PubChem CID: 15275908

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms DTXSID901122963, 1-[(3aR,4R,5S,7aR)-3a,4,5,6,7,7a-Hexahydro-5-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone, 182127-77-1
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 318.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name 1-[(3aR,4R,5S,7aR)-5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl]ethanone
Prediction Hob 1.0
Xlogp 2.0
Molecular Formula C13H20O2
Prediction Swissadme 1.0
Inchi Key GBUDXEBRIWMUIF-OQCKYNKVSA-N
Fcsp3 0.7692307692307693
Logs -0.305
Rotatable Bond Count 1.0
Logd -0.802
Compound Name 1-[(3aR,4R,5S,7aR)-3a,4,5,6,7,7a-Hexahydro-5-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone
Prediction Hob Swissadme 1.0
Exact Mass 208.146
Formal Charge 0.0
Monoisotopic Mass 208.146
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 208.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -2.3506662
Inchi InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3/t8-,11+,12-,13+/m0/s1
Smiles C[C@H]1[C@H](CC[C@H]2[C@@]1(C=C(C2)C(=O)C)C)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Armata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Adonis Sutchuenensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Astragalus Ernestii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Berneuxia Thibetica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Bongardia Chrysogonum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Eragrostis Curvula (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Fritillaria Meleagris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Isophysis Tasmanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Lonchocarpus Laxiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Matricaria Matricarioides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Metasequoia Glyptostroboides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Petasites Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Plantago Lundborgii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Triadica Sebifera (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home