22-Cyclohexyldocosan-1-Ol
PubChem CID: 49797775
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| Compound Synonyms | 1'-Hydroxytetracosanyl cyclohexane, 22-cyclohexyldocosan-1-ol, CHEMBL1170320 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 22-cyclohexyldocosan-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 13.3 |
| Molecular Formula | C28H56O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVFNKSWJOWNILX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.413 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.595 |
| Compound Name | 22-Cyclohexyldocosan-1-Ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.433 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 408.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.294981000000002 |
| Inchi | InChI=1S/C28H56O/c29-27-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-28-25-21-19-22-26-28/h28-29H,1-27H2 |
| Smiles | C1CCC(CC1)CCCCCCCCCCCCCCCCCCCCCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haloxylon Salicornicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all