5,9-Dimethyl-2-decanone
PubChem CID: 537779
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| Compound Synonyms | 2-Decanone, 5,9-dimethyl-, 5,9-Dimethyl-2-decanone, 33933-82-3, (sr)-5,9-dimethyl-2-decanone, JLUPXNKKEGLDEO-UHFFFAOYSA-N, AKOS006324104 |
|---|---|
| Ghose Rule | True |
| 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)C))))CCCCC)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dimethyldecan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O |
| Inchi Key | JLUPXNKKEGLDEO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 5,9-dimethyl-2-decanone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 5,9-Dimethyl-2-decanone |
| Exact Mass | 184.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.32 |
| 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/C12H24O/c1-10(2)6-5-7-11(3)8-9-12(4)13/h10-11H,5-9H2,1-4H3 |
| Smiles | CC(C)CCCC(C)CCC(=O)C |
| 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 Micromeria Biflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700709