Cyclohexadecene
PubChem CID: 10933071
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCC/C=CCCCCCC%16 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCCCCCCCCCC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexadecene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30 |
| Scaffold Graph Node Bond Level | C1=CCCCCCCCCCCCCCC1 |
| Inchi Key | ILAJTKAKMVQGNJ-UPHRSURJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclohexadecene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC |
| Compound Name | Cyclohexadecene |
| Exact Mass | 222.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 222.41 |
| 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/C16H30/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2H,3-16H2/b2-1- |
| Smiles | C1CCCCCCC/C=C\CCCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407