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2,5-Diethyltetrahydrofuran

PubChem CID: 62913

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Compound Synonyms 2,5-Diethyltetrahydrofuran, 2,5-diethyloxolane, 41239-48-9, Furan, 2,5-diethyltetrahydro-, FEMA No. 3743, 2,5-Diethyltetrahydro-Furan, EINECS 255-274-6, UNII-4L4S1F79CT, 4L4S1F79CT, 2,5-Diethyltetrahydrofurane, FEMA 3743, DTXSID70866039, 2,5-DIETHYLTETRAHYDROFURAN [FHFI], 2,5-diethyl tetrahydrofuran, Furan, 2,5diethyltetrahydro, SCHEMBL872855, DTXCID40814380, CHEBI:195849, AKOS006273070, NS00056654, Q27259949, 255-274-6
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 9.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Deep Smiles CCCCCCO5)CC
Heavy Atom Count 9.0
Classyfire Class Tetrahydrofurans
Description Constituent of the essential oil of Mentha subspecies (-)-trans-2,5-Diethyltetrahydrofuran is found in herbs and spices.
Scaffold Graph Node Level C1CCOC1
Isotope Atom Count 0.0
Molecular Complexity 70.6
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,5-diethyloxolane
Prediction Hob 1.0
Class Carbohydrates and carbohydrate conjugates
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.5
Superclass Organooxygen compounds
Gsk 4 400 Rule True
Molecular Formula C8H16O
Scaffold Graph Node Bond Level C1CCOC1
Prediction Swissadme 0.0
Inchi Key YKWLEIXVUHRKEF-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Rotatable Bond Count 2.0
State Liquid
Synonyms 2,5-Diethyltetrahydro-furan, 2,5-Diethyltetrahydrofuran, 9CI, (-)-trans-form, 2,5-diethyltetrahydro-Furan, 2,5-Diethyltetrahydrofurane, FEMA 3743, 2,5-diethyltetrahydrofuran
Substituent Name Saccharide, Oxolane, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Hydrocarbon derivative, Aliphatic heteromonocyclic compound
Esol Class Soluble
Functional Groups COC
Compound Name 2,5-Diethyltetrahydrofuran
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 128.12
Formal Charge 0.0
Monoisotopic Mass 128.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 128.21
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.0716330000000003
Inchi InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
Smiles CCC1CCC(O1)CC
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Tetrahydrofurans

  • 1. Outgoing r'ship FOUND_IN to/from Abies Canadensis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Asarum Canadensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Buglossoides Arvensis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Clinopodium Serpyllifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697994
  • 7. Outgoing r'ship FOUND_IN to/from Collinsonia Canadensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Convolvulus Arvensis (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Conyza Canadensis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Dicentra Canadensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Erigeron Canadensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Filago Arvensis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hydrastis Canadensis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Lactuca Canadensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700758
  • 17. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699820
  • 29. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Origanum Onites (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699077
  • 40. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698253
  • 41. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Sambucus Canadensis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Spergula Arvensis (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:
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