1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

C36H50F6O10 — CID 142697653

About 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 142697653) has the molecular formula C36H50F6O10 and a molecular weight of 756.77 g/mol. Its IUPAC name is 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Molecular Properties

• Compound Name: 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• PubChem CID: 142697653
• Molecular Formula: C36H50F6O10
• Molecular Weight: 756.77 g/mol
• Exact Mass: 756.33
• IUPAC Name: 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• SMILES: CC1CCC2C(C)C(OC/C=C/COC3(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC(C3C)C46OO5)(C(F)(F)F)OC3OC4(C)CCC1C32OO4
• InChI: InChI=1S/C36H50F6O10/c1-19-9-11-25-21(3)33(35(37,38)39,47-27-31(25)23(19)13-15-29(5,45-27)49-51-31)43-17-7-8-18-44-34(36(40,41)42)22(4)26-12-10-20(2)24-14-16-30(6)46-28(48-34)32(24,26)52-50-30/h7-8,19-28H,9-18H2,1-6H3/b8-7+
• InChIKey: TVGXMKCZQXKVQA-BQYQJAHWSA-N
• XLogP: 7.86
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.77
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The IUPAC name of 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 142697653) is 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

What is the SMILES notation for 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The canonical SMILES for 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is CC1CCC2C(C)C(OC/C=C/COC3(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC(C3C)C46OO5)(C(F)(F)F)OC3OC4(C)CCC1C32OO4.

What is the InChIKey of 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The InChIKey is TVGXMKCZQXKVQA-BQYQJAHWSA-N. The full InChI is InChI=1S/C36H50F6O10/c1-19-9-11-25-21(3)33(35(37,38)39,47-27-31(25)23(19)13-15-29(5,45-27)49-51-31)43-17-7-8-18-44-34(36(40,41)42)22(4)26-12-10-20(2)24-14-16-30(6)46-28(48-34)32(24,26)52-50-30/h7-8,19-28H,9-18H2,1-6H3/b8-7+.

What are the key properties of 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 756.77 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5,9-trimethyl-10-(trifluoromethyl)-10-[(E)-4-[[1,5,9-trimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]but-2-enoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 142697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).