6-Decenal, (6E)-
PubChem CID: 5283348
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| Compound Synonyms | (E)-6-Decenal, 6-Decenal, (6E)-, trans-6-Decenal, 6-Decenal, (E)-, 147159-48-6, (E)-dec-6-enal, 6-decenal, ZR7BC83500, UNII-ZR7BC83500, DTXSID90888990, LMFA06000056, (6E)-6-decenal, 6-decenal,(E)-6-decenal, SCHEMBL10819060, DTXCID501028260, Q27295859 |
|---|---|
| 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 | CCC/C=C/CCCCC=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring compound [Flavornet] |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dec-6-enal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | BHAHVSKDYRPNIR-SNAWJCMRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (e)-6-decenal |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CC=O |
| Compound Name | 6-Decenal, (6E)- |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,10H,2-3,6-9H2,1H3/b5-4+ |
| Smiles | CCC/C=C/CCCCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Reference:ISBN:9788172362461