tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane

C12H24O2S2Si — CID 102241422

IUPACtert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane
SMILESCCOC(O[Si](C)(C)C(C)(C)C)=C1SCCS1
InChIInChI=1S/C12H24O2S2Si/c1-7-13-10(11-15-8-9-16-11)14-17(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyRZGWJCZJDRKFLK-UHFFFAOYSA-N
MW292.54 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane

tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane (PubChem CID 102241422) has the molecular formula C12H24O2S2Si and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane
PubChem CID102241422
Molecular FormulaC12H24O2S2Si
Molecular Weight292.54 g/mol
Exact Mass292.10
IUPAC Nametert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane
SMILESCCOC(O[Si](C)(C)C(C)(C)C)=C1SCCS1
InChIInChI=1S/C12H24O2S2Si/c1-7-13-10(11-15-8-9-16-11)14-17(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyRZGWJCZJDRKFLK-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane (CID 102241422) is tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane is CCOC(O[Si](C)(C)C(C)(C)C)=C1SCCS1.
What is the InChIKey of tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane?
The InChIKey is RZGWJCZJDRKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S2Si/c1-7-13-10(11-15-8-9-16-11)14-17(5,6)12(2,3)4/h7-9H2,1-6H3.
What are the key properties of tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane?
tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-dimethylsilane is sourced from PubChem (CID 102241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).