(E,Z)-2,4-Decadienal
PubChem CID: 6427087
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| Compound Synonyms | (2E,4Z)-deca-2,4-dienal, (E,Z)-2,4-Decadienal, 25152-83-4, 2E,4Z-Decadienal, (2E,4Z)-Decadienal, (E,E)-deca-2,4-dienal, 2e,4e-decadienal, 2-trans,4-trans-decadienal, (E,E)-2,4-Decanedienal, Deca-2(E),4(E)-dienal, (E)-2,(E)-4-decadienal, trans-2,cis-4-Decadienal, (E,E)-2,4-decadien-1-al, 2,4-Decadienal, (E,Z)-, 2,4-Decadienal, (2E,4Z)-, (E,E)-2,4-Decadecenal, Deca-2(E),4(Z)-dienal, (2E,4Z)-2,4-Decadienal, SCHEMBL1301734, DTXSID9058739, FEMA 3135, CHEBI:229368, JZQKTMZYLHNFPL-NMMTYZSQSA-N, decadienal,(E,Z)-2,4-decadienal, LMFA06000146, NS00122740 |
|---|---|
| Ghose Rule | False |
| 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 | CCCCC/C=CC=CC=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Constituent of numerous plants and food sources |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-deca-2,4-dienal |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZQKTMZYLHNFPL-NMMTYZSQSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -2.412 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.434 |
| Synonyms | (2E,4Z)-Decadienal, (E,Z)-2,4-Decadienal, (E,Z)-Deca-2,4-dienal, Deca-(E,Z)-2,4-dienal, Deca-2(E),4(Z)-dienal, trans-2,cis-4-Decadienal, trans,cis-2,4-Decadienal, Deca-2,4-dienal, (E,E)-2,4-Decadecenal, (E,E)-2,4-Decadien-1-al, (E,E)-2,4-Decanedienal, (E,E)-Deca-2,4-dienal, (E)-2,(E)-4-Decadienal, 2-trans,4-trans-Decadienal, 2,4-trans,trans-Decadienal, 2E,4E-Decadienal, Deca-2(E),4(E)-dienal, FEMA 3135, trans-2, trans-4-Decadienal, (e)-2,(e)-4-Decadienal, (e,e)-2,4-Decadecenal, (e,e)-2,4-Decadien-1-al, (e,e)-2,4-Decanedienal, (e,e)-Deca-2,4-dienal, Deca-2(e),4(e)-dienal, ( e , z)-2,4-decadienal, ( e,e )-decα- 2,4-dienal, ( e,z )-decα- 2,4-dienal, (e,z)-2,4-decadienai, (e,z)-2,4-decadienal, (e,z)-2-4-decadienal, 2,4-decadienal (e,z), 2e,4z-decadienal |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC=CC=O |
| Compound Name | (E,Z)-2,4-Decadienal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.4353694 |
| Inchi | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6-,9-8+ |
| Smiles | CCCCC/C=C\C=C\C=O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
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