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1-Penten-3-Ol

PubChem CID: 12020

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Compound Synonyms 1-PENTEN-3-OL, 616-25-1, pent-1-en-3-ol, Ethyl vinyl carbinol, 1-Ethylallyl alcohol, Vinyl ethyl carbinol, 1-Pentene-3-ol, 3-Hydroxy-1-pentene, (+/-)-1-Penten-3-ol, FEMA No. 3584, alpha-Ethylallyl alcohol, UNII-DYU6Q1758M, MFCD00004573, DYU6Q1758M, 1-penten-3-ol (E), EINECS 210-472-1, NSC 65446, NSC-65446, .alpha.-Ethylallyl alcohol, AI3-28606, CHEBI:89944, VHVMXWZXFBOANQ-UHFFFAOYSA-, 1-PENTEN-3-OL [FHFI], DTXSID70862293, 1-PENTEN-3-OL, (+/-)-, Penten-3-ol, Ethylvinylcarbinol, Pent1en3ol, (+/-)-1-Penten-3-ol, 1-Ethylallyl alcohol, 3-Hydroxy-1-pentene, Ethyl vinyl carbinol, NSC 65446, a-Ethylallyl alcohol, 1Ethylallyl alcohol, alphaEthylallyl alcohol, 1-Penten-3-ol, 99%, 93222-01-6, CHEMBL2269086, FEMA 3584, DTXCID30811080, NSC65446, 1-Penten-3-ol, analytical standard, 1-Penten-3-ol, >=98%, FG, AKOS009156940, SB83758, DB-003203, CS-0187602, NS00013106, P1043, EN300-98245, F15421, Q27162126, 93222-00-5
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty alcohols
Deep Smiles CCCC=C))O
Heavy Atom Count 6.0
Classyfire Class Organooxygen compounds
Description Isolated from soya (Glycine max), banana, orange juice or peel oil, raspberries, asparagus, shallot, crispbread, smoked fatty fish, scallops, roasted peanut, black and green tea (Thea sinensis) and other foods. Flavouring ingredient. 1-Penten-3-ol is found in many foods, some of which are pulses, sweet bay, blackcurrant, and kohlrabi.
Classyfire Subclass Alcohols and polyols
Isotope Atom Count 0.0
Molecular Complexity 41.2
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name pent-1-en-3-ol
Prediction Hob 1.0
Class Alcohols and polyols
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 1.1
Superclass Organooxygen compounds
Subclass Secondary alcohols
Gsk 4 400 Rule True
Molecular Formula C5H10O
Prediction Swissadme 0.0
Inchi Key VHVMXWZXFBOANQ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs 0.234
Rotatable Bond Count 2.0
Logd 0.844
Synonyms &alpha, -ethylallyl alcohol, 1-Ethylallyl alcohol, 1-penten-3-ol (E), 1-Pentene-3-ol, Alpha-ethylallyl alcohol, Ethyl vinyl carbinol, Ethylvinylcarbinol, FEMA 3584, pent-1-en-3-ol, penten-3-ol, Vinyl ethyl carbinol, 1-Penten-3-ol (e), alpha-Ethylallyl alcohol, Penten-3-ol, 1-Penten-3-ol, 1-penten-3-ol, 1-penten-3-olb, 1-pentene-3-ol, pent- 1-en-3-ol, pent-1 en-3-ol, pent-1-en-3-01, pent-1-en-3-ol
Substituent Name Secondary alcohol, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class Very soluble
Functional Groups C=CC, CO
Compound Name 1-Penten-3-Ol
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 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -0.9413307999999999
Inchi InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
Smiles CCC(C=C)O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Secondary alcohols
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3292
  • 2. Outgoing r'ship FOUND_IN to/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Capparis Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1113205
  • 9. Outgoing r'ship FOUND_IN to/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248
  • 12. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Cassia Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700409
  • 14. Outgoing r'ship FOUND_IN to/from Centaurea Calcitrapa (Plant) Rel Props:Reference:ISBN:9788172362089
  • 15. Outgoing r'ship FOUND_IN to/from Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116
  • 16. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697965
  • 18. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699449
  • 19. Outgoing r'ship FOUND_IN to/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.985734
  • 20. Outgoing r'ship FOUND_IN to/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267
  • 22. Outgoing r'ship FOUND_IN to/from Cyphomandra Betacea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100603
  • 23. Outgoing r'ship FOUND_IN to/from Dimocarpus Longan (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199607)11:4<223::aid-ffj579>3.0.co;2-b
  • 24. Outgoing r'ship FOUND_IN to/from Ilex Paraguariensis (Plant) Rel Props:Reference:ISBN:9788172362300
  • 25. Outgoing r'ship FOUND_IN to/from Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150
  • 26. Outgoing r'ship FOUND_IN to/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477
  • 27. Outgoing r'ship FOUND_IN to/from Lansium Parasiticum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090608
  • 28. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Medicago Polymorpha (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643593
  • 30. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643826
  • 31. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Reference:ISBN:9788172361792
  • 33. Outgoing r'ship FOUND_IN to/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655
  • 34. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006
  • 35. Outgoing r'ship FOUND_IN to/from Musa Acuminata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.997
  • 36. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150218
  • 38. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643741
  • 41. Outgoing r'ship FOUND_IN to/from Spinacia Oleracea (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200009/10)15:5<329::aid-ffj920>3.0.co;2-o
  • 42. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
  • 43. Outgoing r'ship FOUND_IN to/from Stevia Rebaudiana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3298
  • 44. Outgoing r'ship FOUND_IN to/from Syzygium Malaccense (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1269
  • 45. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731
  • 46. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112
  • 47. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730010204
  • 48. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831568
  • 49. Outgoing r'ship FOUND_IN to/from Trachycarpus Fortunei (Plant) Rel Props:Reference:ISBN:9788185042114
  • 50. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245
  • 51. Outgoing r'ship FOUND_IN to/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700101
  • 53. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 54. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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