5,8-Diethyldodecane
PubChem CID: 520105
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5,8-Diethyldodecane, Dodecane, 5,8-diethyl-, 5,8-diethyl-dodecane, 24251-86-3 |
|---|---|
| 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 | CCCCCCCCCCCC))))CC)))))CC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-diethyldodecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGQRNAPEPDFOEX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -6.68 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.747 |
| Synonyms | 5,8-diethyl-dodecane |
| Esol Class | Moderately soluble |
| Compound Name | 5,8-Diethyldodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 226.44 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.7469776 |
| Inchi | InChI=1S/C16H34/c1-5-9-11-15(7-3)13-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 |
| Smiles | CCCCC(CC)CCC(CC)CCCC |
| Nring | 0.0 |
| 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 Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644102