12-Tricosanone
PubChem CID: 10888
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| Compound Synonyms | 12-TRICOSANONE, 540-09-0, Lauron, tricosan-12-one, Laurone, Diundecyl ketone, Undecyl ketone, Di-n-undecyl ketone, Lauron (VAN), UNII-5O6EJV7J5M, NSC 2200, EINECS 208-735-0, 5O6EJV7J5M, BRN 1789685, AI3-11254, NSC-2200, LAURON [VAN], DTXSID4060238, 12-?Tricosanone, 4-01-00-03408 (Beilstein Handbook Reference), Diundecyl Ketone, Laurone, NSC 2200, Undecyl Ketone, SCHEMBL103222, DTXCID5041562, NSC2200, MFCD00026562, AKOS015913281, BS-51057, CS-0186311, NS00043111, T0404, D92334, Q27262627, 208-735-0 |
|---|---|
| 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 | CCCCCCCCCCCC=O)CCCCCCCCCCC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricosan-12-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 10.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H46O |
| Inchi Key | VARQGBHBYZTYLJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 20.0 |
| Synonyms | tricosan-12-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 12-Tricosanone |
| Exact Mass | 338.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.355 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 338.6 |
| Gi Absorption | False |
| 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/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(=O)CCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Mirabilis Jalapa (Plant) Rel Props:Reference:ISBN:9788185042084