(1-Butyloctyl)cyclohexane
PubChem CID: 524422
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| Compound Synonyms | (1-Butyloctyl)cyclohexane, dodecan-5-ylcyclohexane, Dodecane, 5-cyclohexyl-, 13151-85-4, Cyclohexane, 1-butyloctyl, (1-Butyloctyl)cyclohexane #, KBVIBWSEPXLFGZ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-5-ylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 9.2 |
| Molecular Formula | C18H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBVIBWSEPXLFGZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.983 |
| Rotatable Bond Count | 10.0 |
| Logd | -0.074 |
| Compound Name | (1-Butyloctyl)cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.522513199999999 |
| Inchi | InChI=1S/C18H36/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h17-18H,3-16H2,1-2H3 |
| Smiles | CCCCCCCC(CCCC)C1CCCCC1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients