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1-Nonanol

PubChem CID: 8914

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Compound Synonyms 1-Nonanol, Nonan-1-ol, 143-08-8, Nonanol, NONYL ALCOHOL, Pelargonic alcohol, n-Nonyl alcohol, 1-Hydroxynonane, Nonalol, Octyl carbinol, n-Nonanol, Alcohol C-9, n-Nonan-1-ol, Alcohol C9, Nonylalkohol, Pelargonalkohol, FEMA No. 2789, MFCD00002990, nonyl-alcohol, HSDB 5145, N-nonyl-alcohol, UNII-NGK73Q6XMC, NSC 5521, 28473-21-4, EINECS 205-583-7, BRN 0969213, Nonanol-(1), DTXSID6022008, CHEBI:35986, AI3-03962, NSC-5521, EINECS 249-048-6, NGK73Q6XMC, NONYL ALCOHOL [FCC], NONYL ALCOHOL [FHFI], NONYL ALCOHOL [HSDB], DTXCID402008, EC 205-583-7, 4-01-00-01798 (Beilstein Handbook Reference), C9 alcohol, nonanols, 1Hydroxynonane, nNonyl alcohol, nNonan1ol, OCTYCARBINOL, Nonyl alcohol, 8CI, 1-Nonanol, 98%, SCHEMBL19807, WLN: Q9, BIDD:ER0370, CHEMBL24563, N-NONYL ALCOHOL [MI], DTXSID4027943, Nonyl alcohol, >=98%, FCC, BDBM22607, FEMA 2789, NSC5521, Tox21_300869, LMFA05000092, STL283956, AKOS009031412, CS-W009532, DB03143, HY-W008816, NONYL ALCOHOL/PELARGONIC ALCOHOL, 1-Nonanol, purum, >=98.0% (GC), NCGC00248194-01, NCGC00254773-01, BP-31117, BS-42231, CAS-143-08-8, FN139069, SY011469, N0292, NS00002633, EN300-19921, D70513, Q161662, F0001-0508, Z104476100, 2E051A08-F94E-40C2-88CA-7030E15C76BF, 249-048-6
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
Heavy Atom Count 10.0
Classyfire Class Fatty acyls
Description Widespread in nature. Occurs in oils of orange, citronella and lemonand is also found in cheese, prickly pears and bread. Flavouring agent 1-Nonanol is a straight chain fatty alcohol with nine carbon atoms and the molecular formula CH3(CH2)8OH. It is a colorless to slightly yellow liquid with a citrus odor similar to citronella oil.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 52.7
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name nonan-1-ol
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohols
Gsk 4 400 Rule True
Molecular Formula C9H20O
Prediction Swissadme 0.0
Inchi Key ZWRUINPWMLAQRD-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs -2.845
Rotatable Bond Count 7.0
State Liquid
Logd 2.743
Synonyms 1-Hydroxynonane, Acovenoside c, Alcohol C9, FEMA 2789, n-Nonan-1-ol, N-nonanol, N-nonyl alcohol, Nonalol, Nonan-1-ol, Nonanol, Nonyl alcohol, Nonyl alcohol, 8CI, Nonylalkohol, Octyl carbinol, Pelargonalkohol, Pelargonic alcohol, N-Nonanol, N-Nonyl alcohol, N-Nonan-1-ol, Nonyl alcohol, 8ci, 1-Nonanol, 1-nonanol, n-nonanol, nonan-1-ol, nonanol, nonyl alcohol
Substituent Name Fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound
Esol Class Soluble
Functional Groups CO
Compound Name 1-Nonanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 144.151
Formal Charge 0.0
Monoisotopic Mass 144.151
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 144.25
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 -2.6474996
Inchi InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
Smiles CCCCCCCCCO
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 Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0
  • 2. Outgoing r'ship FOUND_IN to/from Alangium Premnifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 10. Outgoing r'ship FOUND_IN to/from Bombax Ceiba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 15. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 32. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 43. Outgoing r'ship FOUND_IN to/from Epimedium Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 60. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 61. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 88. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 96. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
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  • 99. Outgoing r'ship FOUND_IN to/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 108. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 109. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 110. 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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  • 122. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
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  • 125. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 127. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 128. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 129. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 130. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 131. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 132. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 133. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625
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