22-Tritetracontanone
PubChem CID: 68959
Connections displayed (default: 10).
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| Compound Synonyms | 22-Tritetracontanone, Tritetracontan-22-one, 591-71-9, behenone, behenon, UNII-17W7TZ7ENB, EINECS 209-729-0, 17W7TZ7ENB, DIHENICOSYL KETONE, NSC-229455, DTXSID90207844, NSC 229455, NSC229455, SCHEMBL6249340, DTXCID40130335, NS00043084, Q27251942 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tritetracontan-22-one |
| Prediction Hob | 0.0 |
| Xlogp | 21.1 |
| Molecular Formula | C43H86O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODSVXDFDFCXJDV-UHFFFAOYSA-N |
| Fcsp3 | 0.9767441860465116 |
| Logs | -8.273 |
| Rotatable Bond Count | 40.0 |
| Logd | 5.979 |
| Compound Name | 22-Tritetracontanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 618.668 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 618.668 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 619.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -14.331792 |
| Inchi | InChI=1S/C43H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients