1-Ethyl-2-methylcyclopentane
PubChem CID: 136729
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| Compound Synonyms | 1-Ethyl-2-methylcyclopentane, Cyclopentane, 1-ethyl-2-methyl-, 3726-46-3, Cyclopentane, 1-ethyl-2-methyl-, cis-, 1-ethyl-2-methyl-cyclopentane, 930-89-2, 1-Ethyl-2-methylcyclopentane #, DTXSID20870803, BSKOLJVTLRLTHE-UHFFFAOYSA-N, AKOS006272064 |
|---|---|
| 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 | C1CCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC5C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-2-methylcyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | BSKOLJVTLRLTHE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-ethyl,2-methylcyclopentane |
| Esol Class | Soluble |
| Compound Name | 1-Ethyl-2-methylcyclopentane |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3 |
| Smiles | CCC1CCCC1C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975