trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane

C15H32S4Si2 — CID 5246605

IUPACtrimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane
SMILESC[Si](C)(C)C1(CC2([Si](C)(C)C)SCCCS2)SCCCS1
InChIInChI=1S/C15H32S4Si2/c1-20(2,3)14(16-9-7-10-17-14)13-15(21(4,5)6)18-11-8-12-19-15/h7-13H2,1-6H3
InChIKeyBNGKLVGSJJJZSA-UHFFFAOYSA-N
MW396.86 g/mol
LogP6.26
Rot. Bonds4

About trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane

trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane (PubChem CID 5246605) has the molecular formula C15H32S4Si2 and a molecular weight of 396.86 g/mol. Its IUPAC name is trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane
PubChem CID5246605
Molecular FormulaC15H32S4Si2
Molecular Weight396.86 g/mol
Exact Mass396.09
IUPAC Nametrimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane
SMILESC[Si](C)(C)C1(CC2([Si](C)(C)C)SCCCS2)SCCCS1
InChIInChI=1S/C15H32S4Si2/c1-20(2,3)14(16-9-7-10-17-14)13-15(21(4,5)6)18-11-8-12-19-15/h7-13H2,1-6H3
InChIKeyBNGKLVGSJJJZSA-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.86
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane?
The IUPAC name of trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane (CID 5246605) is trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane.
What is the SMILES notation for trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane?
The canonical SMILES for trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane is C[Si](C)(C)C1(CC2([Si](C)(C)C)SCCCS2)SCCCS1.
What is the InChIKey of trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane?
The InChIKey is BNGKLVGSJJJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32S4Si2/c1-20(2,3)14(16-9-7-10-17-14)13-15(21(4,5)6)18-11-8-12-19-15/h7-13H2,1-6H3.
What are the key properties of trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane?
trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane has a molecular weight of 396.86 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]silane is sourced from PubChem (CID 5246605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).