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1-Undecanol

PubChem CID: 8184

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Compound Synonyms 1-UNDECANOL, Undecan-1-ol, 112-42-5, Undecyl alcohol, Undecanol, n-Undecanol, n-Undecyl alcohol, Hendecyl alcohol, 1-Hendecanol, Alcohol C-11, Tip-Nip, Hendecanoic alcohol, 1-Undecyl alcohol, Decyl carbinol, n-Undecan-1-ol, n-Hendecylenic alcohol, C11 alcohol, Neodol 1, Alcohol, undecyl, Undecanol-(1), Alcohol C11, FEMA No. 3097, NSC 403667, HSDB 1089, EINECS 203-970-5, UNII-06MJ0P28T3, BRN 1698334, DTXSID0026915, CHEBI:87499, AI3-00330, NSC-403667, 1-UNDECANOL [HSDB], UNDECYL ALCOHOL [FCC], UNDECYL ALCOHOL [FHFI], DTXCID706915, 30207-98-8, EC 203-970-5, 06MJ0P28T3, 4-01-00-01835 (Beilstein Handbook Reference), CAS-112-42-5, UMQ, UNA, HENDECANOL, Decane, hydroxymethyl deriv., nUndecanol, 1Hendecanol, nUndecan1ol, TipNip, nUndecyl alcohol, 1Undecyl alcohol, Neoflex 11, MFCD00004751, Pri-n-undecyl alcohol, 1-Undecanol, 99%, Dlcohol c-11 undecylic, FEMA NUMBER 3097, SCHEMBL20655, n-C11H23OH, Undecyl alcohol, 97%, FG, UNDECYL ALCOHOL [INCI], CHEMBL444525, DTXSID7027962, HSDB 5175, ALCOHOL C-11 (UNDECYLIC), AAA11242, EINECS 250-092-3, Tox21_201585, Tox21_300548, LMFA05000144, NSC403667, s9450, STL280304, AKOS009031434, CS-W004292, HY-W004292, NCGC00164024-01, NCGC00164024-02, NCGC00164024-03, NCGC00254401-01, NCGC00259134-01, 1-Undecanol, purum, >=98.0% (GC), 143819-62-9, BP-31088, DA-59963, LS-14031, NS00006811, U0005, EN300-20041, Q161686, F8881-3903, Z104476546
Ghose Rule True
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 CCCCCCCCCCCO
Heavy Atom Count 12.0
Classyfire Class Fatty acyls
Description Isolated from hop oil (Humulus lupulus). Found in butter, boiled eggs, cooked pork, oystersand is also in many fruits, eg. apple, banana, sour cherry. Flavouring agent.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 71.4
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id Q8WVX9, Q96K12, Q58HT5, Q6E213
Uniprot Id O00116, Q8WVX9, Q96K12, Q58HT5, Q6E213, Q16236, O75762, P10275, P04792, P19838, P05412
Iupac Name undecan-1-ol
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.6
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohols
Gsk 4 400 Rule True
Molecular Formula C11H24O
Prediction Swissadme 0.0
Inchi Key KJIOQYGWTQBHNH-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -3.931
Rotatable Bond Count 9.0
State Liquid
Logd 3.329
Synonyms 1-Hendecanol, 1-Undecyl alcohol, 11-Undecanolactone, Alcohol c-11, Alcohol C11, Alcohol, undecyl, C11 alcohol, Decyl carbinol, Dlcohol c-11 undecylic, Fatty alcohol(C11), FEMA 3097, Hendecanoic alcohol, Hendecanol, Hendecyl alcohol, N-hendecylenic alcohol, n-Undecan-1-ol, N-undecanol, N-undecyl alcohol, Neodol 1, Neoflex 11, Pri-n-undecyl alcohol, Tip-nip, UMQ, UNA, Undecan-1-ol, Undecanol-(1), Undecyl alcohol, Undecylic alcohol, N-Hendecylenic alcohol, N-Undecyl alcohol, C11 Alcohol, N-Undecan-1-ol, N-Undecanol, Pri-N-undecyl alcohol, 1-undecanol, n-undecanol, undecan-1-ol, undecanol, undecanol *
Esol Class Soluble
Functional Groups CO
Compound Name 1-Undecanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 172.183
Formal Charge 0.0
Monoisotopic Mass 172.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 172.31
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -3.206034399999999
Inchi InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
Smiles CCCCCCCCCCCO
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty alcohols
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1136
  • 2. Outgoing r'ship FOUND_IN to/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9780896038776
  • 4. Outgoing r'ship FOUND_IN to/from Anisochilus Carnosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643332
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643939
  • 7. Outgoing r'ship FOUND_IN to/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698455
  • 10. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.933449
  • 11. Outgoing r'ship FOUND_IN to/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<93::aid-ffj702>3.0.co;2-z
  • 12. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700224
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090404
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697965
  • 15. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1399169
  • 17. Outgoing r'ship FOUND_IN to/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Crateva Religiosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 19. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1680
  • 20. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1053
  • 21. Outgoing r'ship FOUND_IN to/from Cymbopogon Martini (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1222
  • 22. Outgoing r'ship FOUND_IN to/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700751
  • 25. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Garcinia Mangostana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884759
  • 28. Outgoing r'ship FOUND_IN to/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699568
  • 29. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050305
  • 30. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 31. Outgoing r'ship FOUND_IN to/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Machilus Gamblei (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698500
  • 36. Outgoing r'ship FOUND_IN to/from Madhuca Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1667879
  • 37. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1015692
  • 38. Outgoing r'ship FOUND_IN to/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700063
  • 41. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Persicaria Minor (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1990.9697855
  • 44. Outgoing r'ship FOUND_IN to/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1731
  • 50. Outgoing r'ship FOUND_IN to/from Syncarpia Hillii (Plant) Rel Props:Source_db:npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. 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
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