[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane

C15H24SSi — CID 15737825

IUPAC[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane
SMILESCC(C)(C)SC/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24SSi/c1-15(2,3)16-12-9-13-17(4,5)14-10-7-6-8-11-14/h6-11,13H,12H2,1-5H3/b13-9+
InChIKeyKZRUWIFZNLNXLT-UKTHLTGXSA-N
MW264.51 g/mol
LogP4.23
Rot. Bonds4

About [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane

[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane (PubChem CID 15737825) has the molecular formula C15H24SSi and a molecular weight of 264.51 g/mol. Its IUPAC name is [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane
PubChem CID15737825
Molecular FormulaC15H24SSi
Molecular Weight264.51 g/mol
Exact Mass264.14
IUPAC Name[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane
SMILESCC(C)(C)SC/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24SSi/c1-15(2,3)16-12-9-13-17(4,5)14-10-7-6-8-11-14/h6-11,13H,12H2,1-5H3/b13-9+
InChIKeyKZRUWIFZNLNXLT-UKTHLTGXSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane?
The IUPAC name of [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane (CID 15737825) is [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane?
The canonical SMILES for [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane is CC(C)(C)SC/C=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane?
The InChIKey is KZRUWIFZNLNXLT-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H24SSi/c1-15(2,3)16-12-9-13-17(4,5)14-10-7-6-8-11-14/h6-11,13H,12H2,1-5H3/b13-9+.
What are the key properties of [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane?
[(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane has a molecular weight of 264.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-tert-butylsulfanylprop-1-enyl]-dimethyl-phenylsilane is sourced from PubChem (CID 15737825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).