4-Cyclohexyleicosane
PubChem CID: 294706
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| Compound Synonyms | 4-Cyclohexyleicosane, Eicosane, 4-cyclohexyl-, Cyclohexane, (1-propylheptadecyl)-, 4443-58-7, DTXSID20303929, icosan-4-ylcyclohexane, NSC163590, DTXCID30255061, (1-Propylheptadecyl)cyclohexane #, NSC-163590 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosan-4-ylcyclohexane |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Molecular Formula | C26H52 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBXHOJGRWDXKSM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.758 |
| Rotatable Bond Count | 18.0 |
| Logd | 5.597 |
| Compound Name | 4-Cyclohexyleicosane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.407 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 364.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.418152400000002 |
| Inchi | InChI=1S/C26H52/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-25(21-4-2)26-23-19-17-20-24-26/h25-26H,3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCC(CCC)C1CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients