Cyclodecane
PubChem CID: 9267
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| Compound Synonyms | CYCLODECANE, 293-96-9, EINECS 206-032-3, 9N3JJ4GTR5, DTXSID7059779, cyclodecan, Cyclodecane, >=90%, UNII-9N3JJ4GTR5, DTXCID8037962, AKOS015915993, DB-047574, NS00022000, D89414, Q118815, 206-032-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCCCC%10 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 33.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclodecane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20 |
| Scaffold Graph Node Bond Level | C1CCCCCCCCC1 |
| Inchi Key | LMGZGXSXHCMSAA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclodecane |
| Esol Class | Soluble |
| Compound Name | Cyclodecane |
| Exact Mass | 140.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.27 |
| 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 |
| Inchi | InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2 |
| Smiles | C1CCCCCCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21660258