tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane

C34H60F6O2Si2 — CID 91866218

IUPACtert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCC/C=C/C=C1\C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H60F6O2Si2/c1-29(2,3)43(10,11)41-27-23-26(24-28(25-27)42-44(12,13)30(4,5)6)19-16-14-15-17-20-31(7,8)21-18-22-32(9,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28H,15,17,20-21,23-25H2,1-13H3/b16-14+,22-18-,26-19-/t27-,28+/m0/s1
InChIKeyXSALIBQFLJYPHR-VIRGDTRFSA-N
MW671.01 g/mol
LogP12.71
Rot. Bonds12

About tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane (PubChem CID 91866218) has the molecular formula C34H60F6O2Si2 and a molecular weight of 671.01 g/mol. Its IUPAC name is tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane
PubChem CID91866218
Molecular FormulaC34H60F6O2Si2
Molecular Weight671.01 g/mol
Exact Mass670.40
IUPAC Nametert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCC/C=C/C=C1\C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H60F6O2Si2/c1-29(2,3)43(10,11)41-27-23-26(24-28(25-27)42-44(12,13)30(4,5)6)19-16-14-15-17-20-31(7,8)21-18-22-32(9,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28H,15,17,20-21,23-25H2,1-13H3/b16-14+,22-18-,26-19-/t27-,28+/m0/s1
InChIKeyXSALIBQFLJYPHR-VIRGDTRFSA-N
XLogP12.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.01
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

[1-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-12,12,12-trifluoro-7,7-dimethyl-11-(trifluoromethyl)dodec-2-enoxy]-trimethylsilane
CID 53827191
[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 54100683
[12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-yl]oxy-trimethylsilane
CID 54464499
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane
CID 58896101
(3E,10E)-12-[(Z)-(3S,5R)-3,5-bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-trifluoromethyl-dodeca-3,10-dien-2-ol
CID 86756378
(1R,3R)-1,3-bis-(tert-butyl-dimethyl-silanyloxy)-5-((2E,9E)-12,12,12-trifluoro-7,7-dimethyl-11-trifluoromethyl-11-trimethylsilanyloxy-dodeca-2,9-dienylidene)-cyclohexane
CID 86756380
[(E)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-yl]oxy-trimethylsilane
CID 88187519
[(3Z,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 88187939
[(1R,3R)-5-[(2E)-2-[(2R,3R)-3-[(2S)-4,4-difluoro-2-methylbutyl]-3-methyl-2-propylcyclohexylidene]ethylidene]-2-methylidene-3-triethylsilyloxycyclohexyl]oxy-triethylsilane
CID 88867220
12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
CID 90928937
[(3Z,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-triethylsilane
CID 140514877

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane (CID 91866218) is tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane is CC(C)(C/C=C\C(C)(C(F)(F)F)C(F)(F)F)CCC/C=C/C=C1\C[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 tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane?
The InChIKey is XSALIBQFLJYPHR-VIRGDTRFSA-N. The full InChI is InChI=1S/C34H60F6O2Si2/c1-29(2,3)43(10,11)41-27-23-26(24-28(25-27)42-44(12,13)30(4,5)6)19-16-14-15-17-20-31(7,8)21-18-22-32(9,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28H,15,17,20-21,23-25H2,1-13H3/b16-14+,22-18-,26-19-/t27-,28+/m0/s1.
What are the key properties of tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane has a molecular weight of 671.01 g/mol, XLogP of 12.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,9Z)-12,12,12-trifluoro-7,7,11-trimethyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 91866218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).