Cyclohexadecane
PubChem CID: 67526
Connections displayed (default: 10).
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| Compound Synonyms | Cyclohexadecane, 295-65-8, EINECS 206-041-2, DTXSID40183700, DTXCID40106191, NS00041689, Q17992508, 206-041-2 |
|---|---|
| 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 | CCCCCCCCCCCCCCCC%16 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCCCCCCCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexadecane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32 |
| Scaffold Graph Node Bond Level | C1CCCCCCCCCCCCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJWIOXUMXIOXQN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -7.003 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.021 |
| Synonyms | cyclohexadecane |
| Esol Class | Moderately soluble |
| Compound Name | Cyclohexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 224.42 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.181578399999999 |
| Inchi | InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2 |
| Smiles | C1CCCCCCCCCCCCCCC1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Hispida (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x0900400225 - 2. Outgoing r'ship
FOUND_INto/from Acalypha Wilkesiana (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x0900400225 - 3. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407 - 4. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 5. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 6. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.809320 - 8. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1720