2-Nonen-1-ol, (2E)-
PubChem CID: 5364941
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| Compound Synonyms | trans-2-Nonen-1-ol, 31502-14-4, (E)-Non-2-en-1-ol, (E)-2-Nonen-1-ol, 2-Nonen-1-ol, (2E)-, trans-2-Nonenol, 2-Nonen-1-ol, (E)-, FEMA No. 3379, 2-Nonen-1-ol, trans-, (2E)-2-Nonen-1-ol, UNII-164F9RI0BJ, (2E)-non-2-en-1-ol, 2-nonene-1-ol, 164F9RI0BJ, (E)-2-nonenol, 2E-Nonen-1-ol, (E)-non-2-enol, (2E)-nonen-1-ol, EINECS 250-662-1, AI3-36044, CHEBI:142604, DTXSID50885501, TRANS-2-NONEN-1-OL [FHFI], (E)-2-NONEN-1-OL [FCC], 2-Nonen-1-ol-D2, trans-2-Nonen-1-ol, 97%, MFCD00014058, starbld0000855, SCHEMBL184657, SCHEMBL295668, QSPL 148, CHEMBL2228466, FEMA 3379, DTXCID60211392, LMFA05000131, AKOS015902315, HY-W127449, LS-13706, CS-0185681, N0587, NS00084792, trans-2-Nonen-1-ol, >=96%, FCC, FG, D91737, Q27251778 |
|---|---|
| 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 | CCCCCC/C=C/CO |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Description | (e)-2-nonen-1-ol 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. Thus, (e)-2-nonen-1-ol is considered to be a fatty alcohol lipid molecule (e)-2-nonen-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (e)-2-nonen-1-ol is a green, melon, and violet tasting compound found in muskmelon, which makes (e)-2-nonen-1-ol a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.8 |
| 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)-non-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NSSALFVIQPAIQK-BQYQJAHWSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2-nonene-1-ol, FEMA 3379, (2E)-2-Nonen-1-ol, (2E)-Nonen-1-ol, (e)-2-Nonen-1-ol, (e)-2-Nonenol, (e)-Non-2-enol, trans-2-Nonen-1-ol, trans-2-Nonenol, 2-Nonene-1-ol, (2e)-nonen-1-al, (e)-2-nonen-1-ol, trans-2-nonen-1-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 2-Nonen-1-ol, (2E)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| 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 | -2.2285004 |
| Inchi | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+ |
| Smiles | CCCCCC/C=C/CO |
| 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_INto/from Anthriscus Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x1100600229 - 2. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.956189 - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/22888528 - 10. Outgoing r'ship
FOUND_INto/from Geranium Robertianum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1235995 - 11. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.728082 - 13. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:ISBN:9788185042114