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

C22H35F3O2Si — CID 58968692

IUPACtert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C22H35F3O2Si/c1-21(2,3)28(5,6)27-15-17-14-18(22(23,24)25)12-13-19(17)20(26-4)16-10-8-7-9-11-16/h12-14,16,20H,7-11,15H2,1-6H3
InChIKeyFSIBRAAGVZAXKD-UHFFFAOYSA-N
MW416.60 g/mol
LogP7.49
Rot. Bonds6

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

tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 58968692) has the molecular formula C22H35F3O2Si and a molecular weight of 416.60 g/mol. Its IUPAC name is tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
PubChem CID58968692
Molecular FormulaC22H35F3O2Si
Molecular Weight416.60 g/mol
Exact Mass416.24
IUPAC Nametert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C22H35F3O2Si/c1-21(2,3)28(5,6)27-15-17-14-18(22(23,24)25)12-13-19(17)20(26-4)16-10-8-7-9-11-16/h12-14,16,20H,7-11,15H2,1-6H3
InChIKeyFSIBRAAGVZAXKD-UHFFFAOYSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (CID 58968692) is tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is COC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is FSIBRAAGVZAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F3O2Si/c1-21(2,3)28(5,6)27-15-17-14-18(22(23,24)25)12-13-19(17)20(26-4)16-10-8-7-9-11-16/h12-14,16,20H,7-11,15H2,1-6H3.
What are the key properties of tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 416.60 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 58968692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).