14-Heptacosanone
PubChem CID: 10955
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| Compound Synonyms | 14-HEPTACOSANONE, 542-50-7, Heptacosan-14-one, Myristone, Ditridecyl ketone, UNII-FQ5VC928NN, DI-n-TRIDECYL KETONE, FQ5VC928NN, MYRISTON, TRIDECYL KETONE, EINECS 208-815-5, NSC-15184, DTXSID70202554, NSC 15184, Ditridecyl Ketone, Myriston, Myristone, NSC 15184, Tridecyl Ketone, C27H54O, NSC15184, 14-Heptacosanone, Myristone, SCHEMBL353142, DTXCID00125045, MFCD00026598, FD67675, CS-0327032, H0512, NS00043176, D90889, Q27278121, 208-815-5 |
|---|---|
| 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 | CCCCCCCCCCCCCC=O)CCCCCCCCCCCCC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptacosan-14-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 12.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H54O |
| Inchi Key | VCZMOZVQLARCOE-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | 14-heptacosanone, myristone |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 14-Heptacosanone |
| Exact Mass | 394.417 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.417 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 394.7 |
| 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/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC |
| 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 Gisekia Pharnaceoides (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172360481; ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Styrax Officinalis (Plant) Rel Props:Reference:ISBN:9788185042084