tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane

C13H28OS2Si — CID 102513548

IUPACtert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane
SMILESCC(CC1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OS2Si/c1-11(10-12-15-8-7-9-16-12)14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyJOZNCPUHSSIXPI-UHFFFAOYSA-N
MW292.59 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane

tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane (PubChem CID 102513548) has the molecular formula C13H28OS2Si and a molecular weight of 292.59 g/mol. Its IUPAC name is tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane
PubChem CID102513548
Molecular FormulaC13H28OS2Si
Molecular Weight292.59 g/mol
Exact Mass292.14
IUPAC Nametert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane
SMILESCC(CC1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OS2Si/c1-11(10-12-15-8-7-9-16-12)14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyJOZNCPUHSSIXPI-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 54.98
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-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane (CID 102513548) is tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane is CC(CC1SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane?
The InChIKey is JOZNCPUHSSIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS2Si/c1-11(10-12-15-8-7-9-16-12)14-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane?
tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane has a molecular weight of 292.59 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1,3-dithian-2-yl)propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 102513548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).