tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane

C22H27F3O3Si — CID 131747543

IUPACtert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane
SMILESCC(C)(C)[Si](OCC1COC(C(F)(F)F)OC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27F3O3Si/c1-21(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-16-17-14-26-20(27-15-17)22(23,24)25/h4-13,17,20H,14-16H2,1-3H3
InChIKeyJNJDJGPBBFUQIX-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane

tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane (PubChem CID 131747543) has the molecular formula C22H27F3O3Si and a molecular weight of 424.54 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane
PubChem CID131747543
Molecular FormulaC22H27F3O3Si
Molecular Weight424.54 g/mol
Exact Mass424.17
IUPAC Nametert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane
SMILESCC(C)(C)[Si](OCC1COC(C(F)(F)F)OC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27F3O3Si/c1-21(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-16-17-14-26-20(27-15-17)22(23,24)25/h4-13,17,20H,14-16H2,1-3H3
InChIKeyJNJDJGPBBFUQIX-UHFFFAOYSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane (CID 131747543) is tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane is CC(C)(C)[Si](OCC1COC(C(F)(F)F)OC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane?
The InChIKey is JNJDJGPBBFUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3O3Si/c1-21(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-16-17-14-26-20(27-15-17)22(23,24)25/h4-13,17,20H,14-16H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane?
tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane has a molecular weight of 424.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[2-(trifluoromethyl)-1,3-dioxan-5-yl]methoxy]silane is sourced from PubChem (CID 131747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).