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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene

C169H244F6O9Si2 — CID 159054297

IUPAC1,4-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene
SMILESC.C.C.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(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc2c(c1)C(C)(C)CC2(C)c1ccccc1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C31H26F6O2.C27H20.C19H22.C16H18O2.2C15H16O2.C15H28.C8H22OSi2.C8H16.15CH4/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;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-10-11-16-17(12-14)18(2,3)13-19(16,4)15-8-6-5-7-9-15;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;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;3-16H,1-2H3;5-12H,13H2,1-4H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;12-15H,3-11H2,1-2H3;7-8H2,1-6H3;7-8H,3-6H2,1-2H3;15*1H4
InChIKeyJXQWSUJOTKDUFH-UHFFFAOYSA-N
MW2589.96 g/mol
LogP53.77
Rot. Bonds26

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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene (PubChem CID 159054297) has the molecular formula C169H244F6O9Si2 and a molecular weight of 2589.96 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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene.

Molecular Properties

Compound Name1,4-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene
PubChem CID159054297
Molecular FormulaC169H244F6O9Si2
Molecular Weight2589.96 g/mol
Exact Mass2587.81
IUPAC Name1,4-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene
SMILESC.C.C.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(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc2c(c1)C(C)(C)CC2(C)c1ccccc1.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C31H26F6O2.C27H20.C19H22.C16H18O2.2C15H16O2.C15H28.C8H22OSi2.C8H16.15CH4/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;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-10-11-16-17(12-14)18(2,3)13-19(16,4)15-8-6-5-7-9-15;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;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;3-16H,1-2H3;5-12H,13H2,1-4H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;12-15H,3-11H2,1-2H3;7-8H2,1-6H3;7-8H,3-6H2,1-2H3;15*1H4
InChIKeyJXQWSUJOTKDUFH-UHFFFAOYSA-N
XLogP53.77
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002589.96
LogP ≤ 553.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene with MolForge

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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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene (CID 159054297) 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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene is C.C.C.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(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc2c(c1)C(C)(C)CC2(C)c1ccccc1.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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene?
The InChIKey is JXQWSUJOTKDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6O2.C27H20.C19H22.C16H18O2.2C15H16O2.C15H28.C8H22OSi2.C8H16.15CH4/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;1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27;1-14-10-11-16-17(12-14)18(2,3)13-19(16,4)15-8-6-5-7-9-15;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;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;3-16H,1-2H3;5-12H,13H2,1-4H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;12-15H,3-11H2,1-2H3;7-8H2,1-6H3;7-8H,3-6H2,1-2H3;15*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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene has a molecular weight of 2589.96 g/mol, XLogP of 53.77, 26 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;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1,3,3,5-tetramethyl-1-phenyl-2H-indene is sourced from PubChem (CID 159054297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).