tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane

C19H29F3O2SSi — CID 140694044

IUPACtert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(Sc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C19H29F3O2SSi/c1-18(2,3)26(4,5)24-13-15-12-17(9-10-23-15)25-16-8-6-7-14(11-16)19(20,21)22/h6-8,11,15,17H,9-10,12-13H2,1-5H3
InChIKeyBBOZEYVPNGHFOV-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.37
Rot. Bonds5

About tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane (PubChem CID 140694044) has the molecular formula C19H29F3O2SSi and a molecular weight of 406.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
PubChem CID140694044
Molecular FormulaC19H29F3O2SSi
Molecular Weight406.59 g/mol
Exact Mass406.16
IUPAC Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(Sc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C19H29F3O2SSi/c1-18(2,3)26(4,5)24-13-15-12-17(9-10-23-15)25-16-8-6-7-14(11-16)19(20,21)22/h6-8,11,15,17H,9-10,12-13H2,1-5H3
InChIKeyBBOZEYVPNGHFOV-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.37
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-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane (CID 140694044) is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCC1CC(Sc2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
The InChIKey is BBOZEYVPNGHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O2SSi/c1-18(2,3)26(4,5)24-13-15-12-17(9-10-23-15)25-16-8-6-7-14(11-16)19(20,21)22/h6-8,11,15,17H,9-10,12-13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane has a molecular weight of 406.59 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane is sourced from PubChem (CID 140694044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).