Cyclopentanes
PubChem CID: 9253
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| Compound Synonyms | CYCLOPENTANE, 287-92-3, Pentamethylene, ciclopentano, cyclopentan, Zyklopentan, HSDB 62, Cyclopentanes, UNII-T86PB90RNU, EINECS 206-016-6, T86PB90RNU, NSC 60213, UN1146, DTXSID6024886, CHEBI:23492, CYCLOPENTANE [MI], MFCD00001356, NSC-60213, CYCLOPENTANE [HSDB], DTXCID804886, EC 206-016-6, UN 1146, trans-cyclopentane, EINECS 270-696-0, ZEONSOLV HP, Cyclopentane (ACGIH), Cyclopentane, HPLC Grade, WLN: L5TJ, CHEMBL1370850, CHEBI:23493, Cyclopentane (ZEONSOLVaa? HP), Cyclopentane, analytical standard, DTXSID20192138, Cyclopentane, reagent grade, 98%, NSC60213, Tox21_200202, AKOS015903084, NCGC00091776-01, NCGC00091776-02, NCGC00257756-01, CAS-287-92-3, PS-11988, DB-360220, Cyclopentane [UN1146] [Flammable liquid], NS00004654, Q80260, Cyclopentane, for HPLC, >=75% cyclopentane basis, ASTM Method D5191 Vapor Pressure - 68.3kPa (9.91 psi), Cyclopentane, >=75% cyclopentane basis, spectrophotometric grade, 206-016-6 |
|---|---|
| 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 |
| Deep Smiles | CCCCC5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 11.6 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15917, P10275 |
| Iupac Name | cyclopentane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGSFGYAAUTVSQA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.68 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.178 |
| Synonyms | cyclopentane |
| Esol Class | Soluble |
| Compound Name | Cyclopentanes |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 70.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 70.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 70.13 |
| 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 |
| Esol | -2.1648370000000003 |
| Inchi | InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 |
| Smiles | C1CCCC1 |
| Nring | 1.0 |
| 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 Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014 - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167