C180H312ClFN2O2 — CID 158745945
1-tert-butyl-4-ethylcyclohexane;1-chloro-4-(4-ethylcyclohexyl)benzene;1,4-diethylcyclohexane;ethylcycloheptane;1-(4-ethylcyclohexyl)-4-fluorobenzene;bis(1-(3-ethylcyclohexyl)-4-methylbenzene);2-(3-ethylcyclohexyl)pyridine;3-ethyl-1,1-dimethylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;3-ethyl-1-(4-methylphenyl)piperidine;3-ethyloxane;4-ethyloxane;1-ethyl-3-propan-2-ylcyclohexane;1-ethyl-4-propan-2-ylcyclohexane (PubChem CID 158745945) has the molecular formula C180H312ClFN2O2 and a molecular weight of 2590.94 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylcyclohexane;1-chloro-4-(4-ethylcyclohexyl)benzene;1,4-diethylcyclohexane;ethylcycloheptane;1-(4-ethylcyclohexyl)-4-fluorobenzene;bis(1-(3-ethylcyclohexyl)-4-methylbenzene);2-(3-ethylcyclohexyl)pyridine;3-ethyl-1,1-dimethylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;3-ethyl-1-(4-methylphenyl)piperidine;3-ethyloxane;4-ethyloxane;1-ethyl-3-propan-2-ylcyclohexane;1-ethyl-4-propan-2-ylcyclohexane.
| Compound Name | 1-tert-butyl-4-ethylcyclohexane;1-chloro-4-(4-ethylcyclohexyl)benzene;1,4-diethylcyclohexane;ethylcycloheptane;1-(4-ethylcyclohexyl)-4-fluorobenzene;bis(1-(3-ethylcyclohexyl)-4-methylbenzene);2-(3-ethylcyclohexyl)pyridine;3-ethyl-1,1-dimethylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;3-ethyl-1-(4-methylphenyl)piperidine;3-ethyloxane;4-ethyloxane;1-ethyl-3-propan-2-ylcyclohexane;1-ethyl-4-propan-2-ylcyclohexane |
|---|---|
| PubChem CID | 158745945 |
| Molecular Formula | C180H312ClFN2O2 |
| Molecular Weight | 2590.94 g/mol |
| Exact Mass | 2588.40 |
| IUPAC Name | 1-tert-butyl-4-ethylcyclohexane;1-chloro-4-(4-ethylcyclohexyl)benzene;1,4-diethylcyclohexane;ethylcycloheptane;1-(4-ethylcyclohexyl)-4-fluorobenzene;bis(1-(3-ethylcyclohexyl)-4-methylbenzene);2-(3-ethylcyclohexyl)pyridine;3-ethyl-1,1-dimethylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;3-ethyl-1-(4-methylphenyl)piperidine;3-ethyloxane;4-ethyloxane;1-ethyl-3-propan-2-ylcyclohexane;1-ethyl-4-propan-2-ylcyclohexane |
| SMILES | CCC1CCC(C(C)(C)C)CC1.CCC1CCC(C(C)C)CC1.CCC1CCC(C)CC1.CCC1CCC(CC)CC1.CCC1CCC(c2ccc(Cl)cc2)CC1.CCC1CCC(c2ccc(F)cc2)CC1.CCC1CCCC(C(C)C)C1.CCC1CCCC(C)(C)C1.CCC1CCCC(C)C1.CCC1CCCC(c2ccc(C)cc2)C1.CCC1CCCC(c2ccc(C)cc2)C1.CCC1CCCC(c2ccccn2)C1.CCC1CCCCCC1.CCC1CCCN(c2ccc(C)cc2)C1.CCC1CCCOC1.CCC1CCOCC1 |
| InChI | InChI=1S/2C15H22.C14H19Cl.C14H19F.C14H21N.C13H19N.C12H24.2C11H22.2C10H20.3C9H18.2C7H14O/c2*1-3-13-5-4-6-15(11-13)14-9-7-12(2)8-10-14;2*1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;1-3-13-5-4-10-15(11-13)14-8-6-12(2)7-9-14;1-2-11-6-5-7-12(10-11)13-8-3-4-9-14-13;1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-4-9-6-5-7-10(2,3)8-9;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-2-9-7-5-3-4-6-8-9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7/h2*7-10,13,15H,3-6,11H2,1-2H3;2*7-12H,2-6H2,1H3;6-9,13H,3-5,10-11H2,1-2H3;3-4,8-9,11-12H,2,5-7,10H2,1H3;10-11H,5-9H2,1-4H3;2*9-11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;9H,2-8H2,1H3;2*7H,2-6H2,1H3 |
| InChIKey | IMWROSORDCNVEE-UHFFFAOYSA-N |
| XLogP | 58.93 |
| TPSA | 34.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2590.94 |
| LogP ≤ 5 | 58.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|