4-Nonanone
PubChem CID: 78236
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Nonanone, 4485-09-0, Nonan-4-one, Amyl Propyl Ketone, Propyl amyl ketone, Pentyl Propyl Ketone, EINECS 224-770-4, DTXSID5063493, n-Pentyl n-propyl ketone, Nonan4one, N-Amyl N-propylketone, SCHEMBL129432, DTXCID2040361, CHEBI:179604, LMFA12000148, MFCD00027286, AKOS009157392, DB-051253, CS-0362557, N0427, NS00022200, D91706, Q31838919, InChI=1/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H, 224-770-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCC=O)CCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.7 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonan-4-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Inchi Key | TYBCSQFBSWACAA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | Nonan-4-one, Pentyl propyl ketone, Propyl amyl ketone, 4-nonanone, propyl amyl ketone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 4-Nonanone |
| Kingdom | Organic compounds |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3 |
| Smiles | CCCCCC(=O)CCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Ketones |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capillipedium Parviflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.677141 - 2. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1328289 - 3. Outgoing r'ship
FOUND_INto/from Cymbopogon Flexuosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698119 - 4. Outgoing r'ship
FOUND_INto/from Cymbopogon Khasianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1661797 - 5. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712071 - 6. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226