Cyclooctane
PubChem CID: 9266
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| Compound Synonyms | CYCLOOCTANE, 292-64-8, Octamethylene, Cyclooctan, KKZ3KBS654, 1,2-CYCLOOCTANE, EINECS 206-031-8, NSC 72426, NSC-72426, AI3-26694, DTXSID9075377, UNII-KKZ3KBS654, MFCD00004162, Cyclooctane, >=99%, Cambridge id 6337558, Cambridge id 6511221, Cambridge id 6544558, CHEMBL452651, Cyclooctane, analytical standard, DTXCID4037952, CHEBI:229287, NSC72426, AKOS015916198, Cyclooctane, purum, >=99.0% (GC), LS-13495, DB-047557, NS00021995, D89258, Q86495, InChI=1/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H, 206-031-8 |
|---|---|
| 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 | C1CCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCC8 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclooctane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.5 |
| Superclass | Hydrocarbons |
| Subclass | Cycloalkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCCCCC1 |
| Inchi Key | WJTCGQSWYFHTAC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-Cyclooctane, cyclooctane |
| Esol Class | Soluble |
| Compound Name | Cyclooctane |
| Kingdom | Organic compounds |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| 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 |
| Inchi | InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2 |
| Smiles | C1CCCCCCC1 |
| 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 Actiniopteris Radiata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764185