2-Pentacosanone
PubChem CID: 547856
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| Compound Synonyms | 2-Pentacosanone, pentacosan-2-one, Pentacosanone, 75207-54-4, pentacosa-2-one, 104921-43-9, Pentacosane-2-one, Pentacosanone, , SCHEMBL1412970, FP181080, F77320 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacosan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 11.7 |
| Molecular Formula | C25H50O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDTIEPBCRWXMBD-UHFFFAOYSA-N |
| Fcsp3 | 0.96 |
| Logs | -7.241 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.844 |
| Compound Name | 2-Pentacosanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 366.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.013478800000001 |
| Inchi | InChI=1S/C25H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26/h3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients