tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane

C15H26O2SSi — CID 12061434

IUPACtert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
SMILESC[S@](=O)[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-15(2,3)19(5,6)17-12-14(18(4)16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,18-/m0/s1
InChIKeyAZPGSDMUAZACED-KSSFIOAISA-N
MW298.52 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane

tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane (PubChem CID 12061434) has the molecular formula C15H26O2SSi and a molecular weight of 298.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
PubChem CID12061434
Molecular FormulaC15H26O2SSi
Molecular Weight298.52 g/mol
Exact Mass298.14
IUPAC Nametert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
SMILESC[S@](=O)[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26O2SSi/c1-15(2,3)19(5,6)17-12-14(18(4)16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,18-/m0/s1
InChIKeyAZPGSDMUAZACED-KSSFIOAISA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.13
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, triethyl(2-phenylethoxy)-
CID 610043
Silane, (1,1-dimethylethyl)dimethyl(2-phenylethoxy)-
CID 11128311
O-(2-phenylethyl) (4,4,4-trifluoro-1-trimethylsilylbutan-2-yl)sulfanylmethanethioate
CID 11749335
O-(2-phenylethyl) (3,3,3-trifluoro-1-trimethylsilylpropyl)sulfanylmethanethioate
CID 101135321
tert-butyl-[(2S)-4-[(R)-tert-butylsulfinyl]-2-[3-(1,1-difluoroethyl)phenyl]butoxy]-dimethylsilane
CID 173685073
Silane, diethyl(2-phenylethoxy)propoxy-
CID 91737404
Silane, diethylbutoxy(2-phenylethoxy)-
CID 91738633
Silane, diethylpentyloxy(2-phenylethoxy)-
CID 91739739
1-Dimethyl(ethenyl)silyloxy-2-phenylethane
CID 559203
1-Ethyl(dimethyl)silyloxy-2-phenylethane
CID 601572
(2R)-2-[(S)-methylsulfinyl]-2-phenylethanol
CID 12061428
Tert-butyl-dimethyl-(2-methylsulfanyl-1-phenylethoxy)silane
CID 12061430

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane (CID 12061434) is tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane is C[S@](=O)[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane?
The InChIKey is AZPGSDMUAZACED-KSSFIOAISA-N. The full InChI is InChI=1S/C15H26O2SSi/c1-15(2,3)19(5,6)17-12-14(18(4)16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane?
tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane has a molecular weight of 298.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane is sourced from PubChem (CID 12061434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).