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

C21H33F3O2Si — CID 58968676

IUPACtert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C21H33F3O2Si/c1-20(2,3)27(5,6)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25-4)15-9-7-8-10-15/h11-13,15,19H,7-10,14H2,1-6H3
InChIKeyFFWZWFMMSNBTQG-UHFFFAOYSA-N
MW402.57 g/mol
LogP7.10
Rot. Bonds6

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

tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 58968676) has the molecular formula C21H33F3O2Si and a molecular weight of 402.57 g/mol. Its IUPAC name is tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
PubChem CID58968676
Molecular FormulaC21H33F3O2Si
Molecular Weight402.57 g/mol
Exact Mass402.22
IUPAC Nametert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane
SMILESCOC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C21H33F3O2Si/c1-20(2,3)27(5,6)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25-4)15-9-7-8-10-15/h11-13,15,19H,7-10,14H2,1-6H3
InChIKeyFFWZWFMMSNBTQG-UHFFFAOYSA-N
XLogP7.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 57.10
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-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane (CID 58968676) is tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is COC(c1ccc(C(F)(F)F)cc1CO[Si](C)(C)C(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is FFWZWFMMSNBTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3O2Si/c1-20(2,3)27(5,6)26-14-16-13-17(21(22,23)24)11-12-18(16)19(25-4)15-9-7-8-10-15/h11-13,15,19H,7-10,14H2,1-6H3.
What are the key properties of tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 402.57 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[cyclopentyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 58968676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).