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2-Decanol

PubChem CID: 14254

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Compound Synonyms 2-DECANOL, Decan-2-ol, 1120-06-5, 2-Hydroxydecane, 2-Decyl Alcohol, Methyl-n-octylcarbinol, Methyl-n-octyl carbinol, (2R)-decan-2-ol, SLY85BY3SS, Decanol-2, MFCD00004594, NSC-67349, (+/-)-2-DECANOL, DTXSID90862553, 2-DECANOL, (+/-)-, 2Hydroxydecane, Decan2ol, NSC67349, EINECS 214-296-6, NSC 67349, 1-methyl-1-nonanol, Methyl octyl carbinol, 1-methylnonyl alcohol, 2-Decanol, 98%, AI3-11545, UNII-SLY85BY3SS, CHEMBL46477, SCHEMBL161083, DTXCID80811297, CHEBI:195600, AKOS009031496, NCGC00166009-01, SY049765, DB-016693, DB-016764, CS-0329594, D1379, NS00045692, D89844
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 CCCCCCCCCO)C
Heavy Atom Count 11.0
Classyfire Class Fatty acyls
Description Decan-2-ol, also known as 2-decanol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Decan-2-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Decan-2-ol can be found in corn, which makes decan-2-ol a potential biomarker for the consumption of this food product.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 71.3
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name decan-2-ol
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.0
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohols
Gsk 4 400 Rule True
Molecular Formula C10H22O
Prediction Swissadme 0.0
Inchi Key ACUZDYFTRHEKOS-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -2.672
Rotatable Bond Count 7.0
Logd 2.977
Synonyms 2-Decanol, 2-Hydroxydecane, Decanol-2, Methyl-n-octyl carbinol, 2- decanol, 2-decanol, 2-decyl-alcohol, decan-2-ol
Esol Class Soluble
Functional Groups CO
Compound Name 2-Decanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 158.167
Formal Charge 0.0
Monoisotopic Mass 158.167
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 158.28
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 -2.866767
Inchi InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
Smiles CCCCCCCCC(C)O
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 Acacia Aroma (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5
  • 2. Outgoing r'ship FOUND_IN to/from Acacia Caven (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5
  • 3. Outgoing r'ship FOUND_IN to/from Aglaia Cordata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aleurites Cordata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Alnus Cordata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aralia Cordata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Buddleja Cordata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1913
  • 9. Outgoing r'ship FOUND_IN to/from Carpinus Cordata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Circaea Cordata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701031
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1053
  • 13. Outgoing r'ship FOUND_IN to/from Cymbopogon Martini (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1222
  • 14. Outgoing r'ship FOUND_IN to/from Drymaria Cordata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Eucalyptus Cordata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ficus Cordata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698170
  • 18. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Humulus Japonicus (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Humulus Scandens (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Macleaya Cordata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Mikania Cordata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Orymaria Cordata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Ruta Chalepensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699892
  • 26. Outgoing r'ship FOUND_IN to/from Ruta Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644047
  • 27. Outgoing r'ship FOUND_IN to/from Salacia Cordata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Sida Cordata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Telosma Cordata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Trichosanthes Cordata (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698170
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