5-Nonanone
PubChem CID: 10405
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| Compound Synonyms | 5-Nonanone, Nonan-5-one, 502-56-7, DIBUTYL KETONE, Di-n-butyl ketone, Butyl ketone, 5-Oxononane, HSDB 921, di-n-Butylketone, UNII-V8B2Y1BZ3S, EINECS 207-946-5, NSC 14761, (n-C4H9)2CO, BRN 1743583, NSC-14761, V8B2Y1BZ3S, DIBUTYL KETONE [HSDB], DTXSID7022045, 4-01-00-03355 (Beilstein Handbook Reference), MFCD00009484, dibutylketon, dibutylketone, Dinbutyl ketone, 5Oxononane, n-butyl ketone, Nonan5one, S-NORANONE, 5-Nonanone, 98%, SCHEMBL106334, DTXCID402045, NSC14761, BBL011668, STK802501, AKOS005614442, CS-W018275, FN33834, AS-11652, N0294, NS00032022, E76084, EN300-220135, A828029, Q27291664 |
|---|---|
| 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 | CCCCC=O)CCCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.7 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonan-5-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Inchi Key | WSGCRAOTEDLMFQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 5-nonanone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 5-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/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3 |
| Smiles | CCCCC(=O)CCCC |
| 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 Curcuma Caesia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1255