1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene

C180H241F9O9Si2 — CID 158338464

About 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene

1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene (PubChem CID 158338464) has the molecular formula C180H241F9O9Si2 and a molecular weight of 2776.05 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene.

Molecular Properties

• Compound Name: 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene
• PubChem CID: 158338464
• Molecular Formula: C180H241F9O9Si2
• Molecular Weight: 2776.05 g/mol
• Exact Mass: 2773.78
• IUPAC Name: 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.CC1CCC(CC2CCC(C)CC2)CC1.CC[Si](C)(C)O[Si](C)(C)CC.Cc1ccc(C2(C)CC(C)(C)c3cc(C)ccc32)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4)cc3)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21
• InChI: InChI=1S/C31H26F6O2.C29H25F3O2.C27H20.C20H24.2C15H16O2.C15H28.C8H22OSi2.C8H16.12CH4/c1-19-5-15-27(21(3)17-19)38-24-11-7-22(8-12-24)29(4,31(35,36)37)23-9-13-25(14-10-23)39-28-16-6-20(2)18-26(28)30(32,33)34;1-20-4-12-24(13-5-20)33-26-16-8-22(9-17-26)28(3,29(30,31)32)23-10-18-27(19-11-23)34-25-14-6-21(2)7-15-25;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-6-9-16(10-7-14)20(5)13-19(3,4)18-12-15(2)8-11-17(18)20;2*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-7-10(3,4)9-11(5,6)8-2;1-7-3-5-8(2)6-4-7;;;;;;;;;;;;/h5-18H,1-4H3;4-19H,1-3H3;3-16H,1-2H3;6-12H,13H2,1-5H3;2*3-10H,11H2,1-2H3;12-15H,3-11H2,1-2H3;7-8H2,1-6H3;7-8H,3-6H2,1-2H3;12*1H4
• InChIKey: GQWKIMZBFWRUAJ-UHFFFAOYSA-N
• XLogP: 57.16
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2776.05
LogP ≤ 5	57.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The IUPAC name of 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene (CID 158338464) is 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene.

What is the SMILES notation for 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The canonical SMILES for 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene is C.C.C.C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.CC1CCC(CC2CCC(C)CC2)CC1.CC[Si](C)(C)O[Si](C)(C)CC.Cc1ccc(C2(C)CC(C)(C)c3cc(C)ccc32)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4)cc3)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21.

What is the InChIKey of 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The InChIKey is GQWKIMZBFWRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6O2.C29H25F3O2.C27H20.C20H24.2C15H16O2.C15H28.C8H22OSi2.C8H16.12CH4/c1-19-5-15-27(21(3)17-19)38-24-11-7-22(8-12-24)29(4,31(35,36)37)23-9-13-25(14-10-23)39-28-16-6-20(2)18-26(28)30(32,33)34;1-20-4-12-24(13-5-20)33-26-16-8-22(9-17-26)28(3,29(30,31)32)23-10-18-27(19-11-23)34-25-14-6-21(2)7-15-25;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-6-9-16(10-7-14)20(5)13-19(3,4)18-12-15(2)8-11-17(18)20;2*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-7-10(3,4)9-11(5,6)8-2;1-7-3-5-8(2)6-4-7;;;;;;;;;;;;/h5-18H,1-4H3;4-19H,1-3H3;3-16H,1-2H3;6-12H,13H2,1-5H3;2*3-10H,11H2,1-2H3;12-15H,3-11H2,1-2H3;7-8H2,1-6H3;7-8H,3-6H2,1-2H3;12*1H4.

What are the key properties of 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene has a molecular weight of 2776.05 g/mol, XLogP of 57.16, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclohexane;2,2'-dimethyl-9,9'-spirobi[fluorene];2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;ethyl-[ethyl(dimethyl)silyl]oxy-dimethylsilane;methane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene is sourced from PubChem (CID 158338464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).