[(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane

C36H66F6O3Si3 — CID 86756380

About [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane

[(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane (PubChem CID 86756380) has the molecular formula C36H66F6O3Si3 and a molecular weight of 745.17 g/mol. Its IUPAC name is [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane
• PubChem CID: 86756380
• Molecular Formula: C36H66F6O3Si3
• Molecular Weight: 745.17 g/mol
• Exact Mass: 744.42
• IUPAC Name: [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane
• SMILES: CC(C)(C/C=C/C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)CCC/C=C/C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C36H66F6O3Si3/c1-31(2,3)47(12,13)43-29-25-28(26-30(27-29)44-48(14,15)32(4,5)6)21-18-16-17-19-22-33(7,8)23-20-24-34(35(37,38)39,36(40,41)42)45-46(9,10)11/h16,18,20-21,24,29-30H,17,19,22-23,25-27H2,1-15H3/b18-16+,24-20+/t29-,30-/m1/s1
• InChIKey: NAHLXJPCSMULBV-YFLCFYCMSA-N
• XLogP: 13.29
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.17
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane?

The IUPAC name of [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane (CID 86756380) is [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane?

The canonical SMILES for [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane is CC(C)(C/C=C/C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)CCC/C=C/C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane?

The InChIKey is NAHLXJPCSMULBV-YFLCFYCMSA-N. The full InChI is InChI=1S/C36H66F6O3Si3/c1-31(2,3)47(12,13)43-29-25-28(26-30(27-29)44-48(14,15)32(4,5)6)21-18-16-17-19-22-33(7,8)23-20-24-34(35(37,38)39,36(40,41)42)45-46(9,10)11/h16,18,20-21,24,29-30H,17,19,22-23,25-27H2,1-15H3/b18-16+,24-20+/t29-,30-/m1/s1.

What are the key properties of [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane?

[(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane has a molecular weight of 745.17 g/mol, XLogP of 13.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3E,10E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 86756380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).