2-Tetradecenal
PubChem CID: 5283366
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| Compound Synonyms | 2-Tetradecenal, (E)-tetradec-2-enal, TRANS-2-TETRADECENAL, (E)-2-tetradecenal, 51534-36-2, 2-Tetradecenal, (E)-, 2-Tetradecenal, (2E)-, Tetradec-2-enal [FHFI], FEMA No. 4209, trans-2-Tetradecen-1-al, UNII-USP752EG6P, USP752EG6P, 2-tetradecenal, E, (2E)-2-tetradecenal, Tetradecenal, SCHEMBL1737941, 2-TETRADECENAL, TRANS-, CHEMBL2228453, CHEBI:177516, LMFA06000079, DB-210660, NS00126307, Q27291250 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CCCCCCCCCCC/C=C/C=O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Fatty acyls |
| Description | It is used as a food additive . |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tetradec-2-enal |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty aldehydes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O |
| Inchi Key | WHOZNOZYMBRCBL-OUKQBFOZSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | (E)-2-tetradecenal, 2-tetradecenal, 2-tetradecenal, E, trans-2-Tetradecen-1-al, (e)-2-Tetradecenal, 2-Tetradecenal, 2-Tetradecenal, e, (e)-2- tetradecenal, (e)-2-tetradecenal, 2e-tetradecenal* |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C=O |
| Compound Name | 2-Tetradecenal |
| Kingdom | Organic compounds |
| Exact Mass | 210.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.36 |
| 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 |
| Inchi | InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+ |
| Smiles | CCCCCCCCCCC/C=C/C=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.917337 - 2. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643364 - 3. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700751 - 4. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165