1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C91H144 — CID 160680603

About 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 160680603) has the molecular formula C91H144 and a molecular weight of 1238.15 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

• Compound Name: 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• PubChem CID: 160680603
• Molecular Formula: C91H144
• Molecular Weight: 1238.15 g/mol
• Exact Mass: 1237.13
• IUPAC Name: 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• SMILES: C.CCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1
• InChI: InChI=1S/C24H38.C23H36.C22H34.C21H32.CH4/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3;6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3;5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;4-5,8-9,17,19-21H,3,6-7,10-15H2,1-2H3;1H4
• InChIKey: ROCAHDBUXBTRDM-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1238.15
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?

The IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 160680603) is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

What is the SMILES notation for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?

The canonical SMILES for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is C.CCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.

What is the InChIKey of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?

The InChIKey is ROCAHDBUXBTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.C23H36.C22H34.C21H32.CH4/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20;1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19;1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;/h7-8,11-12,20,22-24H,3-6,9-10,13-18H2,1-2H3;6-7,10-11,19,21-23H,3-5,8-9,12-17H2,1-2H3;5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3;4-5,8-9,17,19-21H,3,6-7,10-15H2,1-2H3;1H4.

What are the key properties of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 1238.15 g/mol, XLogP of 28.92, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 160680603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).