tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane

C23H27F3OSSi — CID 140813654

IUPACtert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane
SMILESCc1ccccc1-c1c(C(F)(F)F)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C23H27F3OSSi/c1-15-9-7-8-10-17(15)20-18-13-16(14-27-29(5,6)22(2,3)4)11-12-19(18)28-21(20)23(24,25)26/h7-13H,14H2,1-6H3
InChIKeyCAGWSTKWSOOXSM-UHFFFAOYSA-N
MW436.62 g/mol
LogP8.42
Rot. Bonds4

About tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane

tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane (PubChem CID 140813654) has the molecular formula C23H27F3OSSi and a molecular weight of 436.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane
PubChem CID140813654
Molecular FormulaC23H27F3OSSi
Molecular Weight436.62 g/mol
Exact Mass436.15
IUPAC Nametert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane
SMILESCc1ccccc1-c1c(C(F)(F)F)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C23H27F3OSSi/c1-15-9-7-8-10-17(15)20-18-13-16(14-27-29(5,6)22(2,3)4)11-12-19(18)28-21(20)23(24,25)26/h7-13H,14H2,1-6H3
InChIKeyCAGWSTKWSOOXSM-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 58.42
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-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane (CID 140813654) is tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane is Cc1ccccc1-c1c(C(F)(F)F)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane?
The InChIKey is CAGWSTKWSOOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3OSSi/c1-15-9-7-8-10-17(15)20-18-13-16(14-27-29(5,6)22(2,3)4)11-12-19(18)28-21(20)23(24,25)26/h7-13H,14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane?
tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane has a molecular weight of 436.62 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane is sourced from PubChem (CID 140813654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).