tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane

C17H28O2SSi — CID 134933295

IUPACtert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane
SMILESCc1ccc([S@](=O)/C=C/CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H28O2SSi/c1-15-9-11-16(12-10-15)20(18)14-8-7-13-19-21(5,6)17(2,3)4/h8-12,14H,7,13H2,1-6H3/b14-8+/t20-/m1/s1
InChIKeyFQWHGZZGWHBDAB-OAZIQKMDSA-N
MW324.56 g/mol
LogP5.03
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane

tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane (PubChem CID 134933295) has the molecular formula C17H28O2SSi and a molecular weight of 324.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane
PubChem CID134933295
Molecular FormulaC17H28O2SSi
Molecular Weight324.56 g/mol
Exact Mass324.16
IUPAC Nametert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane
SMILESCc1ccc([S@](=O)/C=C/CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H28O2SSi/c1-15-9-11-16(12-10-15)20(18)14-8-7-13-19-21(5,6)17(2,3)4/h8-12,14H,7,13H2,1-6H3/b14-8+/t20-/m1/s1
InChIKeyFQWHGZZGWHBDAB-OAZIQKMDSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane (CID 134933295) is tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane is Cc1ccc([S@](=O)/C=C/CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane?
The InChIKey is FQWHGZZGWHBDAB-OAZIQKMDSA-N. The full InChI is InChI=1S/C17H28O2SSi/c1-15-9-11-16(12-10-15)20(18)14-8-7-13-19-21(5,6)17(2,3)4/h8-12,14H,7,13H2,1-6H3/b14-8+/t20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane has a molecular weight of 324.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane is sourced from PubChem (CID 134933295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).