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2-Hexen-1-OL

PubChem CID: 5318042

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Compound Synonyms trans-2-Hexen-1-Ol, 928-95-0, (E)-Hex-2-en-1-ol, 2-HEXEN-1-OL, (E)-2-Hexen-1-ol, trans-2-Hexenol, 2-Hexen-1-ol, (2E)-, 2-Hexenol, Hex-2-en-1-ol, 2305-21-7, 3-Propylallyl alcohol, 2-Hexen-1-ol, (E)-, trans-Hex-2-en-1-ol, 2-Hexen-1-ol, trans-, (E)-2-HEXENOL, 2E-hexenol, FEMA No. 2562, 2-(E)-hexenol, MFCD00002927, DTXSID2047062, BVP79C4821, fema 2562, 2-Hexen-1-ol (natural), trans-2-Hexenol (natural), 2-hexenyl alcohol, EINECS 213-191-2, EINECS 218-972-1, trans-1-Hydroxy-2-hexene, NSC 142553, BRN 1719709, trans-2-Hexen-1-yl Alcohol, UNII-BVP79C4821, AI3-34792, UNII-4786A28X17, Hex-2(E)-enol, (E)-hex-2-enol, t-2-Hexen-1-ol, trans-2-hexene-1-ol, E-Hex-2-en-1-ol, (E)-2-Hexene-1-ol, (2E)-2-Hexen-1-ol, SCHEMBL75388, (2E)-hex-2-en-1-ol, 4-01-00-02138 (Beilstein Handbook Reference), trans-2-Hexen-1-ol, 96%, (2E)-2-Hexen-1-ol #, CHEMBL2228463, DTXCID0027062, CHEBI:141205, CHEBI:144070, FEMA NO. 2562, E-, Tox21_301839, LMFA05000060, NSC142553, (E)-2-HEXEN-1-OL [FCC], AKOS015856232, CS-W016652, FH01412, HY-W015936, NSC-142553, NCGC00256273-01, AS-10647, CAS-928-95-0, trans-2-Hexen-1-ol, natural, 97%, FG, DB-266986, 4786A28X17, H0346, NS00012567, trans-2-Hexen-1-ol, >=95%, FCC, FG, D78301, EN300-219729, EN300-1692298, A844381, Q1622275
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 CCC/C=C/CO
Heavy Atom Count 7.0
Classyfire Class Fatty acyls
Description It is used as a food additive . 2-Hexen-1-ol is found in many foods, some of which are white lupine, olive, kelp, and chinese water chestnut.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 48.1
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-hex-2-en-1-ol
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 1.4
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohols
Gsk 4 400 Rule True
Molecular Formula C6H12O
Prediction Swissadme 0.0
Inchi Key ZCHHRLHTBGRGOT-SNAWJCMRSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs -1.661
Rotatable Bond Count 3.0
State Liquid
Logd 1.553
Synonyms 2-Hexenol, 2-Hexenyl alcohol, 3-Propylallyl alcohol, FEMA 2562, Hex-2-en-1-ol, (2Z)-2-Hexen-1-ol, (Z)-2-hexenol, (Z)-hex-2-en-1-ol, (Z)-Hex-2-ene-1-ol, (Z)-hex-2-enol, cis 2-Hexen-1-ol, cis-2-Hexen-1-ol, cis-2-Hexenol, Z-2-hexen-1-ol, (2E)-2-Hexen-1-ol, (E)-2-Hexen-1-ol, (E)-2-Hexene-1-ol, (E)-2-Hexenol, (E)-hex-2-enol, 2-(E)-hexenol, 2-Hexen-1-ol, (2E)-, 2-Hexen-1-ol, (E)-, 2-Hexen-1-ol, trans-, E-hex-2-en-1-ol, Hex-2(E)-enol, t-2-Hexen-1-ol, trans-2-Hexen-1-Ol, trans-2-Hexenol, trans-Hex-2-en-1-ol, (e)-2-Hexen-1-ol, (e)-2-Hexenol, 2-(e)-Hexenol, trans-2-Hexen-1-ol, 1-Hydroxy-2-trans-hexene, 2-Hexen-1-ol, n-Hex-trans-2-en-1-ol, trans-2-Hexene-1-ol, trans-4-Ethyl-2-buten-1-ol, (e)-2-hexen-1-o1, (e)-2-hexen-1-ol, (e)-2-hexenol, (e)-hex-2-en-1-ol, 2-hexen-1-ol, 2-hexen-1-ol (e), 2-hexenol, trans-2 hexenol, trans-2-hexen-1-ol, trans-2-hexene-1-ol, trans-2-hexenol, trans-hex-2-en-1-01, trans-hex-2en- 1-01
Substituent Name Fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound
Esol Class Very soluble
Functional Groups C/C=C/C, CO
Compound Name 2-Hexen-1-OL
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 100.089
Formal Charge 0.0
Monoisotopic Mass 100.089
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 100.16
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -1.1386981999999999
Inchi InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
Smiles CCC/C=C/CO
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Fatty alcohols
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Abies Balsamea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644040
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  • 3. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1074
  • 4. Outgoing r'ship FOUND_IN to/from Aconitum Kamtschaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Actinidia Kolomikta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Altingia Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1250
  • 9. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Anisochilus Carnosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643332
  • 11. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698410
  • 12. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699863
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  • 15. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Borago Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700229
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  • 19. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
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  • 26. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248
  • 28. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
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  • 49. Outgoing r'ship FOUND_IN to/from Dodonaea Polyandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 87. Outgoing r'ship FOUND_IN to/from Persicaria Hydropiper (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1363
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  • 89. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 90. Outgoing r'ship FOUND_IN to/from Phalaenopsis Aphrodite (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 91. Outgoing r'ship FOUND_IN to/from Physalis Solanaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 92. Outgoing r'ship FOUND_IN to/from Plectranthus Glandulosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699615
  • 93. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 94. Outgoing r'ship FOUND_IN to/from Podocarpus Salignus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 95. Outgoing r'ship FOUND_IN to/from Pourouma Guianensis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<233::aid-ffj813>3.0.co;2-l
  • 96. Outgoing r'ship FOUND_IN to/from Prosopis Ruscifolia (Plant) Rel Props:Source_db:npass_chem_all
  • 97. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 98. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 99. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150218
  • 100. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699486
  • 101. Outgoing r'ship FOUND_IN to/from Psychotria Bahiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 102. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637
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  • 104. Outgoing r'ship FOUND_IN to/from Sambucus Wightiana (Plant) Rel Props:Reference:ISBN:9788172363093
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  • 106. Outgoing r'ship FOUND_IN to/from Sideritis Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 107. Outgoing r'ship FOUND_IN to/from Siphocampylus Verticillatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 108. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698961
  • 109. Outgoing r'ship FOUND_IN to/from Spilanthes Acmella (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698952
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  • 111. Outgoing r'ship FOUND_IN to/from Spondias Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698588
  • 112. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698588
  • 113. Outgoing r'ship FOUND_IN to/from Syzygium Jambos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697916
  • 114. Outgoing r'ship FOUND_IN to/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699184
  • 115. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1682
  • 116. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831568
  • 117. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 118. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 119. Outgoing r'ship FOUND_IN to/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all
  • 120. Outgoing r'ship FOUND_IN to/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all
  • 121. Outgoing r'ship FOUND_IN to/from Vepris Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 122. Outgoing r'ship FOUND_IN to/from Veratrum Stenophyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 123. Outgoing r'ship FOUND_IN to/from Viburnum Chingii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 124. Outgoing r'ship FOUND_IN to/from Viola Odorata (Plant) Rel Props:Reference:ISBN:9788172363093
  • 125. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<225::aid-ffj818>3.0.co;2-1
  • 126. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 128. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
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