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

C19H29F3O4SSi — CID 131744001

IUPACtert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C19H29F3O4SSi/c1-18(2,3)28(4,5)26-13-15-12-17(9-10-25-15)27(23,24)16-8-6-7-14(11-16)19(20,21)22/h6-8,11,15,17H,9-10,12-13H2,1-5H3
InChIKeyOBZXQLXCOAOANK-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.05
Rot. Bonds5

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

tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane (PubChem CID 131744001) has the molecular formula C19H29F3O4SSi and a molecular weight of 438.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane
PubChem CID131744001
Molecular FormulaC19H29F3O4SSi
Molecular Weight438.58 g/mol
Exact Mass438.15
IUPAC Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C19H29F3O4SSi/c1-18(2,3)28(4,5)26-13-15-12-17(9-10-25-15)27(23,24)16-8-6-7-14(11-16)19(20,21)22/h6-8,11,15,17H,9-10,12-13H2,1-5H3
InChIKeyOBZXQLXCOAOANK-UHFFFAOYSA-N
XLogP5.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]sulfonyloxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane (CID 131744001) is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane?
The InChIKey is OBZXQLXCOAOANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O4SSi/c1-18(2,3)28(4,5)26-13-15-12-17(9-10-25-15)27(23,24)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]sulfonyloxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane has a molecular weight of 438.58 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]methoxy]silane is sourced from PubChem (CID 131744001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).