3-Octanone oxime
PubChem CID: 138959
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| Compound Synonyms | 3-octanone oxime |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCC=NO))CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Oximes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-octan-3-ylidenehydroxylamine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H17NO |
| Inchi Key | ODXYAIIKLLODAU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-octanone oxime |
| Esol Class | Soluble |
| Functional Groups | CC(C)=NO |
| Compound Name | 3-Octanone oxime |
| Exact Mass | 143.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H17NO/c1-3-5-6-7-8(4-2)9-10/h10H,3-7H2,1-2H3 |
| Smiles | CCCCCC(=NO)CC |
| 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 Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493