trans,trans-2,8-Decadiene
PubChem CID: 5365624
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| Compound Synonyms | trans,trans-2,8-Decadiene, (2E,8E)-deca-2,8-diene, 64460-98-6, (2E,8E)-2,8-Decadiene, 19398-85-7, 2,8-Decadiene, 2,8-Decadiene, (E,E), ZIWONNNFUQQNAZ-GGWOSOGESA-N, AKOS006271805, DB-214713 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Hydrocarbons |
| Deep Smiles | C/C=C/CCCC/C=C/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,8E)-deca-2,8-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Inchi Key | ZIWONNNFUQQNAZ-GGWOSOGESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,8-decadiene, trans,trans-2,8-decadiene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C |
| Compound Name | trans,trans-2,8-Decadiene |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+ |
| Smiles | C/C=C/CCCC/C=C/C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Macarthurii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554255