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Linalool oxide, cis-

PubChem CID: 6428573

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Compound Synonyms 5989-33-3, cis-Linalool Oxide, cis-alpha,alpha,5-Trimethyl-5-vinyltetrahydrofuran-2-methanol, Linalool oxide, (Z)-, 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol, cis-Linalool 3,6-oxide, cis-Linalyl Oxide, 2U90CGE5DT, (Z)-Furanoid linalool oxide, Linalool oxide, cis-, (Z)-Linalool oxide B, cis-Furan linalool oxide, (+/-)-cis-Linalyl oxide, CIS-F-LINALOOL OXIDE, EPOXYDIHYDROLINALOOL II, CHEBI:88903, Linalool oxide I (cis, furanoid), EINECS 227-814-0, FEMA NO. 3746, CIS-, (+/-)-LINALOOL OXIDE, (Z)-, 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, (2R,5S)-rel-, Linalool oxide B, cis-2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran, cis-5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol, 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5S)-rel-, Linalool oxide I, CIS-FURANOID, (2R,5S)-linalyl oxide, 3,7-Dimethyl-1,6-octadien-3-ol epoxy deriv., cis-, UNII-2U90CGE5DT, cis-Furanoid linalool oxide, 1,6-Octadien-3-ol, 3,7-dimethyl-, epoxy deriv., cis-, linalool oxide B (cis-THF), SCHEMBL111540, CHEMBL2252948, CHEBI:132839, 11063-77-7, 34995-77-2, DB-307762, Q27160941, 5-Ethenyltetrahydro-a,a,5-trimethyl-cis-2-Furanmethanol, 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-, 5-Ethenyltetrahydro-a,a,5-trimethyl-(2R,5S)-rel-2-Furanmethanol
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 12.0
Description This is the cis form of furanoid linalool oxide, also called 'Linalool oxide B' or 'Linalool oxide I', there are 2 possible stereo-isomers. cis-Linalool 3,6-oxide is found in many foods, some of which are tea, sweet basil, common oregano, and coriander.
Isotope Atom Count 0.0
Molecular Complexity 186.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Prediction Hob 1.0
Class Tetrahydrofurans
Xlogp 1.4
Superclass Organoheterocyclic compounds
Molecular Formula C10H18O2
Prediction Swissadme 1.0
Inchi Key BRHDDEIRQPDPMG-PSASIEDQSA-N
Fcsp3 0.8
Logs -0.8
Rotatable Bond Count 2.0
Logd 1.566
Synonyms (±)-cis-Linalyl oxide, (Z)-Furanoid linalool oxide, 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, (2R,5S)-rel-, 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, cis-, 5-Ethenyltetrahydro-a,a,5-trimethyl-(2R,5S)-rel-2-furanmethanol, 5-Ethenyltetrahydro-a,a,5-trimethyl-cis-2-furanmethanol, cis-Furanoid linalool oxide, cis-Linalool 3,6-oxide, Linalool oxide B, Linalool oxide I, Linalyl oxide, (±)-cis-form, cis-Linalyl oxide, 5-ethenyltetrahydro-a,a,5-Trimethyl-(2R,5S)-rel-2-furanmethanol, 5-ethenyltetrahydro-a,a,5-Trimethyl-cis-2-furanmethanol, Linalool oxide b
Compound Name Linalool oxide, cis-
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 170.131
Formal Charge 0.0
Monoisotopic Mass 170.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 170.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Esol -2.2944624
Inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
Smiles C[C@]1(CC[C@@H](O1)C(C)(C)O)C=C
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Tetrahydrofurans

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Kamtschaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Actinidia Kolomikta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Boronella Koniambiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Canarium Strictum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Coreopsis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Dipteronia Dyeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Dodonaea Polyandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Gouania Microcarpa (Plant) Rel Props:Source_db:npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Gymnanthemum Amygdalinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Magnolia Biondii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Magnolia Denudata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Magnolia Kobus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Magnolia Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Magnolia Sprengeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Maytenus Loeseneri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Maytenus Serrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Odontites Rubra (Plant) Rel Props:Source_db:npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Ongokea Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Blumeana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Phalaenopsis Aphrodite (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Physalis Solanaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Podocarpus Salignus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Prosopis Ruscifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Psychotria Bahiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Schistostephium Rotundifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Sideritis Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Siphocampylus Verticillatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Vepris Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 50. Outgoing r'ship FOUND_IN to/from Veratrum Stenophyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Viburnum Chingii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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