Cyclopentane, 1-ethyl-3-methyl-, cis-
PubChem CID: 19502
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Ethyl-3-methylcyclopentane, Cyclopentane, 1-ethyl-3-methyl-, 3726-47-4, 1-METHYL-3-ETHYLCYCLOPENTANE, 2613-66-3, Cyclopentane, 1-ethyl-3-methyl-, cis-, Cyclopentane, 1-ethyl-3-methyl-, (1R,3S)-rel-, NSC-73952, Cyclopentane, ethylmethyl-, ETHYLMETHYLCYCLOPENTANE, NSC73952, starbld0005734, R56EKD2LSS, 1-Ethyl-3-methylcyclopentane #, DTXSID40870986, PQXAPVOKLYINEI-UHFFFAOYSA-N, NSC 73952, AKOS006272661, 61593-45-1, Cyclopentane, 1ethyl3methyl, (1R,3S)rel |
|---|---|
| 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 | CCCCCCC5)C |
| 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-3-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 | PQXAPVOKLYINEI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-ethyl-3-methylcyclopentane, 1-methyl-3-ethylcyclopentane |
| Esol Class | Soluble |
| Compound Name | Cyclopentane, 1-ethyl-3-methyl-, cis- |
| 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/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3 |
| Smiles | CCC1CCC(C1)C |
| 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 Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010605 - 2. Outgoing r'ship
FOUND_INto/from Sonchus Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.989185