tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane

C12H24OS2Si — CID 101126959

IUPACtert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane
SMILESCC1(/C=C/O[Si](C)(C)C(C)(C)C)SCCS1
InChIInChI=1S/C12H24OS2Si/c1-11(2,3)16(5,6)13-8-7-12(4)14-9-10-15-12/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeySRUNGMAYTBKXRB-BQYQJAHWSA-N
MW276.54 g/mol
LogP4.72
Rot. Bonds3

About tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane

tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane (PubChem CID 101126959) has the molecular formula C12H24OS2Si and a molecular weight of 276.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane
PubChem CID101126959
Molecular FormulaC12H24OS2Si
Molecular Weight276.54 g/mol
Exact Mass276.10
IUPAC Nametert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane
SMILESCC1(/C=C/O[Si](C)(C)C(C)(C)C)SCCS1
InChIInChI=1S/C12H24OS2Si/c1-11(2,3)16(5,6)13-8-7-12(4)14-9-10-15-12/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeySRUNGMAYTBKXRB-BQYQJAHWSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane (CID 101126959) is tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane is CC1(/C=C/O[Si](C)(C)C(C)(C)C)SCCS1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane?
The InChIKey is SRUNGMAYTBKXRB-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24OS2Si/c1-11(2,3)16(5,6)13-8-7-12(4)14-9-10-15-12/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane?
tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane has a molecular weight of 276.54 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane is sourced from PubChem (CID 101126959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).