Propylcyclopentane
PubChem CID: 16270
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | PROPYLCYCLOPENTANE, n-Propylcyclopentane, Cyclopentane, propyl-, 2040-96-2, 1-Cyclopentylpropane, EINECS 218-042-5, 4Q1SP7J9BM, NSC 73947, BRN 1900338, Cyclopentane, n-propyl-, NSC-73947, UNII-4Q1SP7J9BM, DTXSID60174352, 4-05-00-00125 (Beilstein Handbook Reference), propyl-cyclopentane, Cyclopentane, propyl-, Propylcyclopentane, 1-Propylcyclopentane, NSC 73947, n-Propylcyclopentane, NSC73947, 1-propylcyclopentane, WLN: L5TJ A3, DTXCID6096843, MFCD00039449, AKOS024319568, DB-045208, NS00026621, 218-042-5 |
|---|---|
| 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 | CCCCCCCC5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propylcyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | KDIAMAVWIJYWHN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | n-propylcyclopentane |
| Esol Class | Soluble |
| Compound Name | Propylcyclopentane |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3 |
| Smiles | CCCC1CCCC1 |
| 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