Hexylcyclohexane
PubChem CID: 20283
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| Compound Synonyms | Hexylcyclohexane, 4292-75-5, n-Hexylcyclohexane, Cyclohexane, hexyl-, 1-CYCLOHEXYLHEXANE, Hexane, 1-cyclohexyl-, Cyclohexane, n-hexyl-, 1-Hexylcyclohexane, BNS1DVW87A, EINECS 224-294-7, UNII-BNS1DVW87A, NSC 95433, NSC-95433, DTXSID7063398, nHexylcyclohexane, 1Cyclohexylhexane, Cyclohexane, hexyl, Cyclohexane, nhexyl, NSC95433, Hexane, 1cyclohexyl, MFCD00019403, 1-HEXYL-CYCLOHEXENE, Hexane, 1cyclohexyl (8CI), Hexane, 1-cyclohexyl-(8CI), DTXCID3040192, AKOS024332813, LS-14155, DB-050993, CS-0452443, H0137, NS00031265, D90805, Q63398940, 224-294-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QHWAQXOSHHKCFK-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | Hexylcyclohexane |
| Description | N-hexylcyclohexadiene is a member of the class of compounds known as cycloalkanes. Cycloalkanes are saturated monocyclic hydrocarbons (with or without side chains). N-hexylcyclohexadiene can be found in wild celery, which makes N-hexylcyclohexadiene a potential biomarker for the consumption of this food product. |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.2 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexylcyclohexane |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3 |
| Smiles | CCCCCCC1CCCCC1 |
| Xlogp | 6.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H24 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all