Cyclotetradecane
PubChem CID: 67524
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cyclotetradecane, 295-17-0, EINECS 206-038-6, O1MV54BB89, UNII-O1MV54BB89, CHEBI:89715, DTXSID70183697, DTXCID10106188, AKOS006272110, DB-307791, NS00042146, Q7485816, 206-038-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCCCCCCCC%14 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Constituent of Glycyrrhiza glabra (licorice) and Rosa subspecies Cyclotetradecane is found in tea and herbs and spices. |
| Scaffold Graph Node Level | C1CCCCCCCCCCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 53.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclotetradecane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.8 |
| Superclass | Hydrocarbons |
| Subclass | Cycloalkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H28 |
| Scaffold Graph Node Bond Level | C1CCCCCCCCCCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KATXJJSCAPBIOB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -6.844 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.919 |
| Synonyms | 1,8-Diazacyclotetradecane-2,9-dione, cyclotetradecane |
| Esol Class | Moderately soluble |
| Compound Name | Cyclotetradecane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 196.37 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.3209436 |
| Inchi | InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2 |
| Smiles | C1CCCCCCCCCCCCC1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cycloalkanes |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167