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

C13H28OS2Si — CID 11266337

IUPACtert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-13(2,3)17(4,5)14-9-6-8-12-15-10-7-11-16-12/h12H,6-11H2,1-5H3
InChIKeyQXRHTHNDSDGISL-UHFFFAOYSA-N
MW292.59 g/mol
LogP4.98
Rot. Bonds5

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

tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane (PubChem CID 11266337) has the molecular formula C13H28OS2Si and a molecular weight of 292.59 g/mol. Its IUPAC name is tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane
PubChem CID11266337
Molecular FormulaC13H28OS2Si
Molecular Weight292.59 g/mol
Exact Mass292.14
IUPAC Nametert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-13(2,3)17(4,5)14-9-6-8-12-15-10-7-11-16-12/h12H,6-11H2,1-5H3
InChIKeyQXRHTHNDSDGISL-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': '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-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane (CID 11266337) is tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC1SCCCS1.
What is the InChIKey of tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
The InChIKey is QXRHTHNDSDGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS2Si/c1-13(2,3)17(4,5)14-9-6-8-12-15-10-7-11-16-12/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane?
tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane has a molecular weight of 292.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(1,3-dithian-2-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 11266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).