tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane

C16H26OS2Si — CID 11347975

IUPACtert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C16H26OS2Si/c1-16(2,3)20(4,5)17-14-9-7-13(8-10-14)15-18-11-6-12-19-15/h7-10,15H,6,11-12H2,1-5H3
InChIKeyUKZWNPNPWXPENV-UHFFFAOYSA-N
MW326.60 g/mol
LogP5.94
Rot. Bonds3

About tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane

tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane (PubChem CID 11347975) has the molecular formula C16H26OS2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane
PubChem CID11347975
Molecular FormulaC16H26OS2Si
Molecular Weight326.60 g/mol
Exact Mass326.12
IUPAC Nametert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C16H26OS2Si/c1-16(2,3)20(4,5)17-14-9-7-13(8-10-14)15-18-11-6-12-19-15/h7-10,15H,6,11-12H2,1-5H3
InChIKeyUKZWNPNPWXPENV-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane (CID 11347975) is tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C2SCCCS2)cc1.
What is the InChIKey of tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane?
The InChIKey is UKZWNPNPWXPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS2Si/c1-16(2,3)20(4,5)17-14-9-7-13(8-10-14)15-18-11-6-12-19-15/h7-10,15H,6,11-12H2,1-5H3.
What are the key properties of tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane?
tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane has a molecular weight of 326.60 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 11347975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).