1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane

C₅₈H₈₈ — CID 159812681

About 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane

1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane (PubChem CID 159812681) has the molecular formula C₅₈H₈₈ and a molecular weight of 785.34 g/mol. Its IUPAC name is 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane.

Molecular Properties

• Compound Name: 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
• PubChem CID: 159812681
• Molecular Formula: C₅₈H₈₈
• Molecular Weight: 785.34 g/mol
• Exact Mass: 784.69
• IUPAC Name: 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
• SMILES: C.C.C.CCc1ccc(CC2CCC(CC3CCC(Cc4ccc(CC)cc4)CC3)CC2)cc1.CCc1ccc(CC2CCC(Cc3ccc(CC)cc3)CC2)cc1
• InChI: InChI=1S/C31H44.C24H32.3CH4/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;;;/h5-12,28-31H,3-4,13-23H2,1-2H3;5-12,23-24H,3-4,13-18H2,1-2H3;3*1H4
• InChIKey: NLFPJXFQNZSONU-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.34
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?

The IUPAC name of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane (CID 159812681) is 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane.

What is the SMILES notation for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?

The canonical SMILES for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane is C.C.C.CCc1ccc(CC2CCC(CC3CCC(Cc4ccc(CC)cc4)CC3)CC2)cc1.CCc1ccc(CC2CCC(Cc3ccc(CC)cc3)CC2)cc1.

What is the InChIKey of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?

The InChIKey is NLFPJXFQNZSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44.C24H32.3CH4/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;;;/h5-12,28-31H,3-4,13-23H2,1-2H3;5-12,23-24H,3-4,13-18H2,1-2H3;3*1H4.

What are the key properties of 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane?

1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane has a molecular weight of 785.34 g/mol, XLogP of 16.91, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane is sourced from PubChem (CID 159812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159812681 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.