tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane

C26H27F3OSi — CID 66615167

IUPACtert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)CCC2C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27F3OSi/c1-25(2,3)31(21-10-6-4-7-11-21,22-12-8-5-9-13-22)30-20-15-16-23-19(18-20)14-17-24(23)26(27,28)29/h4-13,15-16,18,24H,14,17H2,1-3H3
InChIKeyKURIVDBBRMPCAO-UHFFFAOYSA-N
MW440.58 g/mol
LogP6.22
Rot. Bonds4

About tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane

tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane (PubChem CID 66615167) has the molecular formula C26H27F3OSi and a molecular weight of 440.58 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane
PubChem CID66615167
Molecular FormulaC26H27F3OSi
Molecular Weight440.58 g/mol
Exact Mass440.18
IUPAC Nametert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane
SMILESCC(C)(C)[Si](Oc1ccc2c(c1)CCC2C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27F3OSi/c1-25(2,3)31(21-10-6-4-7-11-21,22-12-8-5-9-13-22)30-20-15-16-23-19(18-20)14-17-24(23)26(27,28)29/h4-13,15-16,18,24H,14,17H2,1-3H3
InChIKeyKURIVDBBRMPCAO-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane (CID 66615167) is tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane is CC(C)(C)[Si](Oc1ccc2c(c1)CCC2C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane?
The InChIKey is KURIVDBBRMPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3OSi/c1-25(2,3)31(21-10-6-4-7-11-21,22-12-8-5-9-13-22)30-20-15-16-23-19(18-20)14-17-24(23)26(27,28)29/h4-13,15-16,18,24H,14,17H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane?
tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane has a molecular weight of 440.58 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane is sourced from PubChem (CID 66615167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).