1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane

C118H194ClFN2O2 — CID 158788794

About 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane

1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane (PubChem CID 158788794) has the molecular formula C118H194ClFN2O2 and a molecular weight of 1727.31 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane
• PubChem CID: 158788794
• Molecular Formula: C118H194ClFN2O2
• Molecular Weight: 1727.31 g/mol
• Exact Mass: 1725.48
• IUPAC Name: 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane
• SMILES: CC(C1CC1)C1CC1.CC1CCC(C(C)(C)C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCCCC2)CC1.CC1CCC2CCCCC2C1.CCC1(c2ccccc2)CC1.CCC1(c2ccccc2)CCCC1.CCC1C2CCCC12.CCCC1CC1.CCCCCOc1ccc(F)cc1.CCc1nc(-c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C13H24.C13H18.C11H15FO.C11H20.C11H14.C11H22.C10H9ClN2O.2C8H14.2C8H16.C6H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-13(10-6-7-11-13)12-8-4-3-5-9-12;1-2-3-4-9-13-11-7-5-10(12)6-8-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-11(8-9-11)10-6-4-3-5-7-10;1-9-5-7-10(8-6-9)11(2,3)4;1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7;1-6(7-2-3-7)8-4-5-8;1-2-6-7-4-3-5-8(6)7;2*1-7-3-5-8(2)6-4-7;1-2-3-6-4-5-6/h11-13H,2-10H2,1H3;3-5,8-9H,2,6-7,10-11H2,1H3;5-8H,2-4,9H2,1H3;9-11H,2-8H2,1H3;3-7H,2,8-9H2,1H3;9-10H,5-8H2,1-4H3;3-6H,2H2,1H3;2*6-8H,2-5H2,1H3;2*7-8H,3-6H2,1-2H3;6H,2-5H2,1H3
• InChIKey: ISAABDPBQQCSLZ-UHFFFAOYSA-N
• XLogP: 37.99
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1727.31
LogP ≤ 5	37.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane?

The IUPAC name of 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane (CID 158788794) is 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane.

What is the SMILES notation for 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane?

The canonical SMILES for 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane is CC(C1CC1)C1CC1.CC1CCC(C(C)(C)C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCCCC2)CC1.CC1CCC2CCCCC2C1.CCC1(c2ccccc2)CC1.CCC1(c2ccccc2)CCCC1.CCC1C2CCCC12.CCCC1CC1.CCCCCOc1ccc(F)cc1.CCc1nc(-c2ccc(Cl)cc2)no1.

What is the InChIKey of 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane?

The InChIKey is ISAABDPBQQCSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C13H18.C11H15FO.C11H20.C11H14.C11H22.C10H9ClN2O.2C8H14.2C8H16.C6H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-13(10-6-7-11-13)12-8-4-3-5-9-12;1-2-3-4-9-13-11-7-5-10(12)6-8-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-11(8-9-11)10-6-4-3-5-7-10;1-9-5-7-10(8-6-9)11(2,3)4;1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7;1-6(7-2-3-7)8-4-5-8;1-2-6-7-4-3-5-8(6)7;2*1-7-3-5-8(2)6-4-7;1-2-3-6-4-5-6/h11-13H,2-10H2,1H3;3-5,8-9H,2,6-7,10-11H2,1H3;5-8H,2-4,9H2,1H3;9-11H,2-8H2,1H3;3-7H,2,8-9H2,1H3;9-10H,5-8H2,1-4H3;3-6H,2H2,1H3;2*6-8H,2-5H2,1H3;2*7-8H,3-6H2,1-2H3;6H,2-5H2,1H3.

What are the key properties of 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane?

1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane has a molecular weight of 1727.31 g/mol, XLogP of 37.99, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-methylcyclohexane;3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;1-cyclohexyl-4-methylcyclohexane;1-cyclopropylethylcyclopropane;bis(1,4-dimethylcyclohexane);6-ethylbicyclo[3.1.0]hexane;(1-ethylcyclopentyl)benzene;(1-ethylcyclopropyl)benzene;1-fluoro-4-pentoxybenzene;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;propylcyclopropane is sourced from PubChem (CID 158788794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).