Cyclopentanone, 2-(acetyloxy)-
PubChem CID: 11194392
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| Compound Synonyms | Cyclopentanone, 2-(acetyloxy)-, 2-oxocyclopentyl acetate, 52789-75-0, acetoxycyclopentanone, SCHEMBL3830715, DTXSID00458244, RBEIPUMJEQUKIW-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | CC=O)OCCCCC5=O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-oxocyclopentyl) acetate |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10O3 |
| Scaffold Graph Node Bond Level | O=C1CCCC1 |
| Inchi Key | RBEIPUMJEQUKIW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | acetoxycyclopentanone |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O, COC(C)=O |
| Compound Name | Cyclopentanone, 2-(acetyloxy)- |
| Exact Mass | 142.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 142.15 |
| 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/C7H10O3/c1-5(8)10-7-4-2-3-6(7)9/h7H,2-4H2,1H3 |
| Smiles | CC(=O)OC1CCCC1=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090610