tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane

C15H26OSSi — CID 12061431

IUPACtert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
SMILESCSC(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26OSSi/c1-15(2,3)18(5,6)16-12-14(17-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyRNKKTEYOAUXEBJ-UHFFFAOYSA-N
MW282.52 g/mol
LogP5.11
Rot. Bonds5

About tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane

tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane (PubChem CID 12061431) has the molecular formula C15H26OSSi and a molecular weight of 282.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
PubChem CID12061431
Molecular FormulaC15H26OSSi
Molecular Weight282.52 g/mol
Exact Mass282.15
IUPAC Nametert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
SMILESCSC(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26OSSi/c1-15(2,3)18(5,6)16-12-14(17-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyRNKKTEYOAUXEBJ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl(2-phenylethoxy)-
CID 518978
Trimethyl(3-phenylpropoxy)silane
CID 518979
2-Methoxy-1-phenylethane-1-thiol
CID 23380571
Silane, trimethyl[[1-(phenylmethyl)ethenyl]oxy]-
CID 10488516
beta-(Methylthio)benzeneethanol
CID 11367227
Triethyl(3-phenylpropoxy)silane
CID 561771
Silane, triethyl(2-phenylethoxy)-
CID 610043
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
1-Di(tert-butyl)silyloxy-2-phenylethane
CID 6329257
Tert-butyldimethyl(3-phenylpropoxy)silane
CID 10083485
tert-Butyl(2-fluorophenethoxy)dimethylsilane
CID 57988979
tert-Butyl(4-fluorophenethoxy)dimethylsilane
CID 57989254

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane (CID 12061431) is tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane is CSC(CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane?
The InChIKey is RNKKTEYOAUXEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSSi/c1-15(2,3)18(5,6)16-12-14(17-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane?
tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane has a molecular weight of 282.52 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane is sourced from PubChem (CID 12061431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).