trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane

C13H22OSSi — CID 177456308

IUPACtrimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane
SMILESC[Si](C)(C)CCS(=O)CCc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-16(2,3)12-11-15(14)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyWCGHLGIVEZSSPL-UHFFFAOYSA-N
MW254.47 g/mol
LogP3.32
Rot. Bonds6

About trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane

trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane (PubChem CID 177456308) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane
PubChem CID177456308
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Nametrimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane
SMILESC[Si](C)(C)CCS(=O)CCc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-16(2,3)12-11-15(14)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyWCGHLGIVEZSSPL-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylbutylsulfinyl)butylbenzene
CID 66797089
1-(2-phenylethylsulfinyl)propan-2-amine
CID 81188268
sodium 2-phenylethanesulfinate
CID 23702947
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
ethane;2-phenylethanesulfinic acid;propane;yttrium
CID 157102993
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431
benzene;2-phenylethylbenzene
CID 18982764
3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid
CID 68785004
ethane;methane;2-phenylethylbenzene
CID 158652330

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane?
The IUPAC name of trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane (CID 177456308) is trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane?
The canonical SMILES for trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane is C[Si](C)(C)CCS(=O)CCc1ccccc1.
What is the InChIKey of trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane?
The InChIKey is WCGHLGIVEZSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-16(2,3)12-11-15(14)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane?
trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane has a molecular weight of 254.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane is sourced from PubChem (CID 177456308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).