5-Ethylcyclopentene-1-carbaldehyde
PubChem CID: 580057
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-ethylcyclopentene-1-carbaldehyde, 5-Ethylcyclopent-1-enecarboxaldehyde, 1-Formyl-5-ethylcyclopentene, 5-Ethyl-1-formylcyclopentene, 5-Ethyl-1-cyclopentene-1-carbaldehyde, Cyclopentene-1-carboxaldehyde, 5-ethyl, SCHEMBL20981784, CHEBI:229303, 36431-51-3, 5-Ethyl-1-cyclopentene-1-carbaldehyde #, DB-263550 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCCC=C5C=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organic oxides |
| Scaffold Graph Node Level | C1CCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethylcyclopentene-1-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H12O |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | BXRHTYIYAZHIHF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-ethyl-1-formylcyclopentene |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C=O |
| Compound Name | 5-Ethylcyclopentene-1-carbaldehyde |
| Exact Mass | 124.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 124.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3 |
| Smiles | CCC1CCC=C1C=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477