n-Heptadecadiene
PubChem CID: 3016864
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| Compound Synonyms | n-heptadecadiene, PEUHBSAKNWEJHZ-UHFFFAOYSA-N |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCC=CC=C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadeca-1,3-diene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32 |
| Inchi Key | PEUHBSAKNWEJHZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | n-heptadecadiene |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC=CC |
| Compound Name | n-Heptadecadiene |
| Exact Mass | 236.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 236.4 |
| 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/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-17H2,2H3 |
| Smiles | CCCCCCCCCCCCCC=CC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697932