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Cyclopentanol

PubChem CID: 7298

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Compound Synonyms CYCLOPENTANOL, 96-41-3, Cyclopentyl alcohol, Hydroxycyclopentane, 1-cyclopentanol, MFCD00001363, UN2244, HSDB 2821, EINECS 202-504-8, UNII-1L43Q07TBU, NSC 49117, 1L43Q07TBU, DTXSID1033371, CHEBI:16133, AI3-25264, NSC-49117, CYCLOPENTANOL [MI], DTXCID9013371, EC 202-504-8, UN 2244, UN-2244, CAS-96-41-3, cydopentanol, YEG, 1-cyclopentyl alcohol, Cyclopentanol, 99%, MLS001055338, CHEMBL288998, BDBM36176, Cyclopentanol, analytical standard, HMS3039M14, BCP30892, NSC49117, STR07441, Tox21_200109, Tox21_303563, STL280357, AKOS000118901, CS-W004073, NCGC00091006-01, NCGC00091006-02, NCGC00257249-01, NCGC00257663-01, SMR000673565, NS00006348, Cyclopentanol [UN2244] [Flammable liquid], EN300-19348, C02020, A845587, Q284201, Hydroxycyclopentane, Cyclopentyl alcohol, 1-Cyclopentanol, F0001-2295, 202-504-8, MFW
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Deep Smiles OCCCCC5
Heavy Atom Count 6.0
Classyfire Class Organooxygen compounds
Description Cyclopentanol, also known as cyclopentyl alcohol or hydroxycyclopentane, is a member of the class of compounds known as cyclopentanols. Cyclopentanols are compounds containing a cyclopentane ring that carries an alcohol group. Cyclopentanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Cyclopentanol can be found in a number of food items such as walnut, cashew nut, cauliflower, and linden, which makes cyclopentanol a potential biomarker for the consumption of these food products.
Scaffold Graph Node Level C1CCCC1
Classyfire Subclass Alcohols and polyols
Isotope Atom Count 0.0
Molecular Complexity 37.2
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16473
Iupac Name cyclopentanol
Prediction Hob 1.0
Class Organooxygen compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Target Id NPT210
Xlogp 0.8
Superclass Organic oxygen compounds
Subclass Alcohols and polyols
Gsk 4 400 Rule True
Molecular Formula C5H10O
Scaffold Graph Node Bond Level C1CCCC1
Prediction Swissadme 0.0
Inchi Key XCIXKGXIYUWCLL-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -0.186
Rotatable Bond Count 0.0
State liquid
Logd 0.73
Synonyms Cyclopentanol [UN2244] [Flammable liquid], Cyclopentyl alcohol, Hydroxycyclopentane, cyclopentanol
Esol Class Very soluble
Functional Groups CO
Compound Name Cyclopentanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 86.0732
Formal Charge 0.0
Monoisotopic Mass 86.0732
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 86.13
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -0.8843308000000001
Inchi InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
Smiles C1CCC(C1)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Cyclopentanols

  • 1. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Citrus X (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Dalea Purpurea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Dioscorea Purpurea (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Echinacea Pallida (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Echinacea Simulata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Fragaria X (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Fritillaria Ebeiensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Galega Purpurea (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Gossypium Arboreum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Gossypium Barbadense (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Gossypium Hirsutum (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Gossypium Indicum (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Gossypium Stocksii (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150
  • 29. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Neonauclea Purpurea (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Pelargonium X (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Pyrus X (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Rhamnus Purpurea (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Roscoea Purpurea (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Sarracenia Purpurea (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Symphytum X (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Taxus X (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
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