Heptylcyclohexane
PubChem CID: 21832
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| Compound Synonyms | n-Heptylcyclohexane, HEPTYLCYCLOHEXANE, 5617-41-4, Cyclohexane, heptyl-, 1-Cyclohexylheptane, Heptane, 1-cyclohexyl-, n-Heptyl cyclohexane, Cyclohexane, n-heptyl-, EINECS 227-041-9, NSC 102802, DTXSID1058636, MFCD00019404, NSC102802, DTXCID9032323, AKOS024332797, NSC-102802, AS-47895, DB-052855, CS-0368240, H0442, NS00033473, F16715, 227-041-9 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C13H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSTLSCNJAHAQNU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.583 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.513 |
| Compound Name | Heptylcyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 182.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8270762 |
| Inchi | InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3 |
| Smiles | CCCCCCCC1CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients