Cyclooctane, 1,2-diethyl-
PubChem CID: 520065
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| Compound Synonyms | Cyclooctane, 1,2-diethyl-, DTXSID80880827, 23609-46-3, 1,2-Diethylcyclooctane #, DTXCID901022183, NS00096283 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-diethylcyclooctane |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C12H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XDADRYBKGCGTEX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.68 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.589 |
| Compound Name | Cyclooctane, 1,2-diethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4812088 |
| Inchi | InChI=1S/C12H24/c1-3-11-9-7-5-6-8-10-12(11)4-2/h11-12H,3-10H2,1-2H3 |
| Smiles | CCC1CCCCCCC1CC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients