trans-2-trans-4-Nonadiene
PubChem CID: 5358327
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| Compound Synonyms | dodeca-5,7-diene, (5E,7E)-dodeca-5,7-diene, trans-2-trans-4-Nonadiene, 21293-04-9, 5,7-Dodecadiene, (5E,7E)-5,7-Dodecadiene, 5,7-Dodecadiene, (E,E)-, 30651-68-4, NSC244870, (E,Z)-5,7-Dodecadiene, trans,trans-dodeca-5,7-diene, 5,7-Dodecadiene, (E,Z)-, DTXSID70880831, CHEBI:165746, ZARLDNIZTZBEDV-WGDLNXRISA-N, (5E,7E)-5,7-Dodecadiene #, NSC-244870, 5, (E,E)-, NS00096201 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCC/C=C/C=C/CCCC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E,7E)-dodeca-5,7-diene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.3 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H22 |
| Inchi Key | ZARLDNIZTZBEDV-WGDLNXRISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (2E,4E)-2,4-Nonadiene, (e,e) - 2,4-Nonadiene, (e,Z)-5,7-Dodecadiene, trans-2,trans-4-Nonadiene, 5,7-dodecadiene, (e,z)- |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C/C |
| Compound Name | trans-2-trans-4-Nonadiene |
| Kingdom | Organic compounds |
| Exact Mass | 166.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.3 |
| Gi Absorption | False |
| 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/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+ |
| Smiles | CCCC/C=C/C=C/CCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkadienes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678