tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane

C17H28OSSi — CID 134928109

IUPACtert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCc1ccccc1)[C@H]1CS1
InChIInChI=1S/C17H28OSSi/c1-17(2,3)20(4,5)18-15(16-13-19-16)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyWUJFQBOCAIAAEU-HZPDHXFCSA-N
MW308.56 g/mol
LogP5.12
Rot. Bonds6

About tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane

tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane (PubChem CID 134928109) has the molecular formula C17H28OSSi and a molecular weight of 308.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane
PubChem CID134928109
Molecular FormulaC17H28OSSi
Molecular Weight308.56 g/mol
Exact Mass308.16
IUPAC Nametert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCc1ccccc1)[C@H]1CS1
InChIInChI=1S/C17H28OSSi/c1-17(2,3)20(4,5)18-15(16-13-19-16)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyWUJFQBOCAIAAEU-HZPDHXFCSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.56
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
Triethyl(4-phenylbutan-2-yloxy)silane
CID 11380068
tert-Butyl(dimethyl)[(15)-1-phenethyl-2-propenyl]oxysilane
CID 89748843
2-Octanol, benzyldimethylsilyl ether
CID 91697326
1-Benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane
CID 11057410
[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane
CID 11198805
trimethyl-[(4S)-2-methylidene-6-phenyl-4-trimethylsilyloxyhexyl]silane
CID 11209845
Trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane
CID 11380801
Tert-butyl-dimethyl-(2-methylsulfanyl-1-phenylethoxy)silane
CID 12061430
Tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
CID 12061431
tert-butyl-dimethyl-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethoxy]silane
CID 12061433
tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
CID 12061434

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane (CID 134928109) is tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane is CC(C)(C)[Si](C)(C)O[C@H](CCc1ccccc1)[C@H]1CS1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane?
The InChIKey is WUJFQBOCAIAAEU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28OSSi/c1-17(2,3)20(4,5)18-15(16-13-19-16)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane?
tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane has a molecular weight of 308.56 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-3-phenyl-1-[(2S)-thiiran-2-yl]propoxy]silane is sourced from PubChem (CID 134928109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).