Tetradeca-1,3-diene
PubChem CID: 6365430
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| Compound Synonyms | Tetradeca-1,3-diene, 39669-92-6, EINECS 254-584-9, tetradecadiene, 25447-84-1, LRIUTQPZISVIHK-FNORWQNLSA-N |
|---|---|
| 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 | CCCCCCCCCC/C=C/C=C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-tetradeca-1,3-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26 |
| Inchi Key | LRIUTQPZISVIHK-FNORWQNLSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | tetradecadiene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C/C=C/C |
| Compound Name | Tetradeca-1,3-diene |
| Exact Mass | 194.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 194.36 |
| Gi Absorption | False |
| 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/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-14H2,2H3/b7-5+ |
| Smiles | CCCCCCCCCC/C=C/C=C |
| 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 Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700451