Cyclohexadecane, 1,2-diethyl-
PubChem CID: 536940
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| Compound Synonyms | Cyclohexadecane, 1,2-diethyl-, 1,2-Diethylcyclohexadecane, 1,2-Diethylcyclohexadecane #, WTKPOZCPQVMNOI-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-diethylcyclohexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 10.3 |
| Molecular Formula | C20H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTKPOZCPQVMNOI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.219 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.945 |
| Compound Name | Cyclohexadecane, 1,2-diethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.904847999999999 |
| Inchi | InChI=1S/C20H40/c1-3-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(19)4-2/h19-20H,3-18H2,1-2H3 |
| Smiles | CCC1CCCCCCCCCCCCCCC1CC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients