1-Nonadecanol
PubChem CID: 80281
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| Compound Synonyms | 1-NONADECANOL, 1454-84-8, Nonadecan-1-ol, NONADECANOL, Nonadecyl alcohol, n-Nonadecanol-1, n-nonadecyl alcohol, UNII-A465X576KO, A465X576KO, EINECS 215-930-4, MFCD00002824, AI3-36471, DTXSID90870875, n-Nonadecanol, Nonadecan1ol, 1-Nonadecanol, Nonadecyl alcohol, n-1-Nonadecanol, n-Nonadecanol, n-1-nonadecanol, C19H40O, Nonadecanol-(1), 1-hydroxynonadecane, 1-Nonadecanol, 99%, 1-Nonadecanol (Standard), SCHEMBL103937, DTXCID10818557, CHEBI:197470, HY-W004297R, AKOS015839822, CS-W004297, HY-W004297, AS-10300, DA-69565, PD167317, N0284, NS00045346, H10890, Q27273608, 1-Nonadecanol, European Pharmacopoeia (EP) Reference Standard, 52783-43-4 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Description | 1-nonadecanol is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. 1-nonadecanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-nonadecanol can be found in black elderberry and potato, which makes 1-nonadecanol a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonadecan-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H40O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGFDHKJUZCCPKQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -6.82 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.118 |
| Synonyms | 1-Nonadecanol, N-nonadecanol, n-Nonadecanol-1, Nonadecanol, Nonadecanol-(1), Nonadecyl alcohol, 1-nonadecanol, l-nonadecanol, nonadecanol, nonadecanol* |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 1-Nonadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 284.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.988273599999999 |
| Inchi | InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Fruticosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644095 - 2. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1136 - 3. Outgoing r'ship
FOUND_INto/from Argania Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977563 - 4. Outgoing r'ship
FOUND_INto/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886164 - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1505556 - 6. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Curcuma Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1680 - 8. Outgoing r'ship
FOUND_INto/from Cymbopogon Martini (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1222 - 9. Outgoing r'ship
FOUND_INto/from Heracleum Thomsonii (Plant) Rel Props:Reference:ISBN:9770972795006 - 10. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1711 - 11. Outgoing r'ship
FOUND_INto/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1197 - 12. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1763 - 13. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210 - 14. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699572 - 16. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all