6,8-Dimethyloctadeca-5,8-diene
PubChem CID: 71342863
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| Compound Synonyms | 139415-76-2, 6,8-DIMETHYLOCTADECA-5,8-DIENE, DTXSID20769561 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCC=CCC=CCCCC)))))C)))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dimethyloctadeca-5,8-diene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38 |
| Inchi Key | VVKIJYQVOCPKMX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 6,8-dimethyl-5,8-octadecadiene |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 6,8-Dimethyloctadeca-5,8-diene |
| Exact Mass | 278.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 278.5 |
| 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/C20H38/c1-5-7-9-10-11-12-13-15-17-20(4)18-19(3)16-14-8-6-2/h16-17H,5-15,18H2,1-4H3 |
| Smiles | CCCCCCCCCC=C(C)CC(=CCCCC)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698051