2,6-Dodecadienal, (2E,6Z)-
PubChem CID: 6430759
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| Compound Synonyms | 2-trans-6-cis-Dodecadienal, (2E,6Z)-Dodeca-2,6-dienal, 21662-13-5, 2,6-Dodecadienal, (E,Z)-, trans-2-cis-6-Dodecadienal, 2,6-Dodecadienal, (2E,6Z)-, FEMA No. 3637, 6CPL2532NR, 2,6-Dodecadienal, trans,cis-, (E,Z)-2,6-DODECADIEN-1-AL, 2,6-DODECADIEN-1-AL, EINECS 244-515-0, (E,Z)-2,6-Dodecadienal, UNII-6CPL2532NR, (2E,6Z)-2,6-Dodecadienal, DTXSID60885173, 2-TRANS-6-CIS-DODECADIENAL [FHFI], SCHEMBL2519008, trans-2,cis-6-Dodecadien-1-al, CHEBI:171893, DTXCID701024569, NS00051145, Q27264491, 244-515-0 |
|---|---|
| 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 | CCCCC/C=CCC/C=C/C=O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Description | It is used as a food additive . |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6Z)-dodeca-2,6-dienal |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O |
| Inchi Key | VPEGROOEBNSCCL-JFEAUALZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2,6-DODECADIEN-1-AL, 2,6-DODECADIEN-1-al, (e,z)-2,6-dodecadienal, trans-2-cis-6-dodecadienal |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=O, C/C=CC |
| Compound Name | 2,6-Dodecadienal, (2E,6Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 180.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.29 |
| 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 |
| Inchi | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+ |
| Smiles | CCCCC/C=C\CC/C=C/C=O |
| 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
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700446