Cyclobutanone
PubChem CID: 14496
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| Compound Synonyms | CYCLOBUTANONE, 1191-95-3, UNII-6PF2SH405U, MFCD00001332, NSC 87632, 6PF2SH405U, EINECS 214-745-6, NSC-87632, AI3-37787, DTXSID9061592, cyclobutan-1-one, cyclobutyloxy, cyclobutanon, cylcobutanone, cylobutanone, 3-cyclobutanone, Cyclobutanone, 99%, DTXCID7033490, BCP26050, NSC87632, STR06460, BBL102042, STL555841, AKOS005259133, CS-W001200, FC38244, PS-9376, SB40655, Cyclobutanone - stabilise 0.01 % BHT, SY002827, DB-007369, C1913, NS00023838, EN300-25701, A804218, Q1147434, F0001-0313, 214-745-6 |
|---|---|
| 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 | CC1CCC1 |
| Deep Smiles | O=CCCC4 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclobutanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6O |
| Scaffold Graph Node Bond Level | O=C1CCC1 |
| Inchi Key | SHQSVMDWKBRBGB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclobutanone |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Cyclobutanone |
| Exact Mass | 70.0419 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 70.0419 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 70.09 |
| Gi Absorption | True |
| 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/C4H6O/c5-4-2-1-3-4/h1-3H2 |
| Smiles | C1CC(=O)C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1232609