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

C22H35F3O2Si — CID 67091408

IUPACtert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1COCC1CCCCC1
InChIInChI=1S/C22H35F3O2Si/c1-21(2,3)28(4,5)27-16-19-13-20(22(23,24)25)12-11-18(19)15-26-14-17-9-7-6-8-10-17/h11-13,17H,6-10,14-16H2,1-5H3
InChIKeyFBOIFEUCBIEDBD-UHFFFAOYSA-N
MW416.60 g/mol
LogP7.32
Rot. Bonds7

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

tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 67091408) has the molecular formula C22H35F3O2Si and a molecular weight of 416.60 g/mol. Its IUPAC name is tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
PubChem CID67091408
Molecular FormulaC22H35F3O2Si
Molecular Weight416.60 g/mol
Exact Mass416.24
IUPAC Nametert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1COCC1CCCCC1
InChIInChI=1S/C22H35F3O2Si/c1-21(2,3)28(4,5)27-16-19-13-20(22(23,24)25)12-11-18(19)15-26-14-17-9-7-6-8-10-17/h11-13,17H,6-10,14-16H2,1-5H3
InChIKeyFBOIFEUCBIEDBD-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (CID 67091408) is tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1COCC1CCCCC1.
What is the InChIKey of tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is FBOIFEUCBIEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F3O2Si/c1-21(2,3)28(4,5)27-16-19-13-20(22(23,24)25)12-11-18(19)15-26-14-17-9-7-6-8-10-17/h11-13,17H,6-10,14-16H2,1-5H3.
What are the key properties of tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 416.60 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 67091408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).