tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane

C21H33F3O2Si — CID 58968732

IUPACtert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC1(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C21H33F3O2Si/c1-19(2,3)27(5,6)26-15-16-14-17(21(22,23)24)10-11-18(16)20(25-4)12-8-7-9-13-20/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyGKBYBGSWIIOJGI-UHFFFAOYSA-N
MW402.57 g/mol
LogP7.03
Rot. Bonds5

About tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 58968732) has the molecular formula C21H33F3O2Si and a molecular weight of 402.57 g/mol. Its IUPAC name is tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
PubChem CID58968732
Molecular FormulaC21H33F3O2Si
Molecular Weight402.57 g/mol
Exact Mass402.22
IUPAC Nametert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC1(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C21H33F3O2Si/c1-19(2,3)27(5,6)26-15-16-14-17(21(22,23)24)10-11-18(16)20(25-4)12-8-7-9-13-20/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyGKBYBGSWIIOJGI-UHFFFAOYSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(2,2,2-trifluoro-1-naphthalen-2-ylethoxy)silane
CID 15488123
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315
[(2R,3R)-3-fluoro-2-phenyloxolan-2-yl]methyl-(4-methylphenyl)-di(propan-2-yl)silane
CID 44471821
Tert-butyl-[5-[2-(dimethoxymethyl)-4-(trifluoromethyl)phenyl]pent-4-ynoxy]-dimethylsilane
CID 134884700
Tert-butyl-[5-[2-(dimethoxymethyl)-5-(trifluoromethyl)phenyl]pent-4-ynoxy]-dimethylsilane
CID 134884974
tert-butyl-[3-[2,3-dimethoxy-5-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134982577
tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134983323
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
tert-butyl-[(1-ethoxy-5,6,7,8-tetrahydro-2H-cyclobuta[a]naphthalen-1-yl)oxy]-dimethylsilane
CID 101263630
tert-butyl-dimethyl-[3-[4-(1-phenylprop-2-enyl)-1H-isochromen-3-yl]propoxy]silane
CID 102443872
Trimethyl-[1,1,1-trifluoro-2-[4-[4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)phenyl]phenyl]propan-2-yl]oxysilane
CID 10577945

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (CID 58968732) is tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is COC1(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is GKBYBGSWIIOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3O2Si/c1-19(2,3)27(5,6)26-15-16-14-17(21(22,23)24)10-11-18(16)20(25-4)12-8-7-9-13-20/h10-11,14H,7-9,12-13,15H2,1-6H3.
What are the key properties of tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 402.57 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(1-methoxycyclohexyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 58968732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).