1-Cyclohexyl-11-heneicosanone
PubChem CID: 129882177
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| Compound Synonyms | 1-cyclohexyl-11-heneicosanone, (11-Oxoheneicosanyl)cyclohexane, 182141-50-0, DTXSID401308279 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCCCCCCC=O)CCCCCCCCCCCCCCCC6 |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-cyclohexylhenicosan-11-one |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 11.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H52O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | YSNPNFJCFQOIAC-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 20.0 |
| Synonyms | (11-Oxoheneicosanyl)cyclohexane, 11-oxoheneicosanyl cyclohexane |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 1-Cyclohexyl-11-heneicosanone |
| Kingdom | Organic compounds |
| Exact Mass | 392.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 392.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C27H52O/c1-2-3-4-5-6-10-13-19-24-27(28)25-20-14-11-8-7-9-12-16-21-26-22-17-15-18-23-26/h26H,2-25H2,1H3 |
| Smiles | CCCCCCCCCCC(=O)CCCCCCCCCCC1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Ketones |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:ISBN:9770972795006