tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane

C29H40F2O2Si2 — CID 89405915

IUPACtert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1cc(C(=C)O[Si](C)(C)C(C)(C)C)ccc1-2
InChIInChI=1S/C29H40F2O2Si2/c1-19(32-34(9,10)27(3,4)5)21-13-15-23-24-16-14-22(18-26(24)29(30,31)25(23)17-21)20(2)33-35(11,12)28(6,7)8/h13-18H,1-2H2,3-12H3
InChIKeyKTFQMGLLBJKWFY-UHFFFAOYSA-N
MW514.81 g/mol
LogP9.79
Rot. Bonds6

About tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane

tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane (PubChem CID 89405915) has the molecular formula C29H40F2O2Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
PubChem CID89405915
Molecular FormulaC29H40F2O2Si2
Molecular Weight514.81 g/mol
Exact Mass514.25
IUPAC Nametert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1cc(C(=C)O[Si](C)(C)C(C)(C)C)ccc1-2
InChIInChI=1S/C29H40F2O2Si2/c1-19(32-34(9,10)27(3,4)5)21-13-15-23-24-16-14-22(18-26(24)29(30,31)25(23)17-21)20(2)33-35(11,12)28(6,7)8/h13-18H,1-2H2,3-12H3
InChIKeyKTFQMGLLBJKWFY-UHFFFAOYSA-N
XLogP9.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.81
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
dimethyl-phenyl-[(Z)-5-triethylsilyloxy-5-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
CID 154720026
(2,2-Difluoro-1-naphthalen-2-ylethenoxy)-triethylsilane
CID 177850121
Trimethyl-[1-[10-(1-trimethylsilyloxyethenyl)fluoranthen-7-yl]ethenoxy]silane
CID 11761815
Trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane
CID 10577945
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-9H-fluoren-2-yl]propan-2-ol
CID 23528242
(2-(1-Methoxycyclohexyl)-5-(trifluoromethyl)benzyloxy)(tert-butyl)dimethylsilane
CID 58968732
tert-butyl-[[(1S)-4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67813661
tert-butyl-[(S)-4-(1,1-difluoro-2-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67814369

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane (CID 89405915) is tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1cc(C(=C)O[Si](C)(C)C(C)(C)C)ccc1-2.
What is the InChIKey of tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane?
The InChIKey is KTFQMGLLBJKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F2O2Si2/c1-19(32-34(9,10)27(3,4)5)21-13-15-23-24-16-14-22(18-26(24)29(30,31)25(23)17-21)20(2)33-35(11,12)28(6,7)8/h13-18H,1-2H2,3-12H3.
What are the key properties of tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane?
tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane has a molecular weight of 514.81 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane is sourced from PubChem (CID 89405915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).