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

C10H22S2Si — CID 552599

IUPACtert-butyl-(1,3-dithian-2-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1SCCCS1
InChIInChI=1S/C10H22S2Si/c1-10(2,3)13(4,5)9-11-7-6-8-12-9/h9H,6-8H2,1-5H3
InChIKeyJISLIURJHXAPTN-UHFFFAOYSA-N
MW234.51 g/mol
LogP4.23
Rot. Bonds1

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

tert-butyl-(1,3-dithian-2-yl)-dimethylsilane (PubChem CID 552599) has the molecular formula C10H22S2Si and a molecular weight of 234.51 g/mol. Its IUPAC name is tert-butyl-(1,3-dithian-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,3-dithian-2-yl)-dimethylsilane
PubChem CID552599
Molecular FormulaC10H22S2Si
Molecular Weight234.51 g/mol
Exact Mass234.09
IUPAC Nametert-butyl-(1,3-dithian-2-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1SCCCS1
InChIInChI=1S/C10H22S2Si/c1-10(2,3)13(4,5)9-11-7-6-8-12-9/h9H,6-8H2,1-5H3
InChIKeyJISLIURJHXAPTN-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Trimethylsilyl-1,3-dithiane
CID 83413
2-(Triisopropylsilyl)-1,3-dithiane
CID 4598885
(1,3-Dithiane-2,2-diyl)bis(trimethylsilane)
CID 315854
2-Methyl-2-(trimethylsilyl)-1,3-dithiane
CID 12521349
1,3-Dithian-2-yl(triethyl)silane
CID 11230069
CID 25224256
CID 25224256
Silane, trimethyl[2-(1-methylethyl)-1,3-dithian-2-yl]-
CID 4144283
(2-tert-Butyl-1,3-dithian-2-yl)(trimethyl)silane
CID 315853
Trimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane
CID 11241712
Silane, trimethyl(2-pentyl-1,3-dithian-2-yl)-
CID 11323002
Tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane
CID 11380278
2-(Trimethylsilylethynyl)-1,3-dithiane
CID 11424482

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,3-dithian-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(1,3-dithian-2-yl)-dimethylsilane (CID 552599) is tert-butyl-(1,3-dithian-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,3-dithian-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1,3-dithian-2-yl)-dimethylsilane is CC(C)(C)[Si](C)(C)C1SCCCS1.
What is the InChIKey of tert-butyl-(1,3-dithian-2-yl)-dimethylsilane?
The InChIKey is JISLIURJHXAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2Si/c1-10(2,3)13(4,5)9-11-7-6-8-12-9/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl-(1,3-dithian-2-yl)-dimethylsilane?
tert-butyl-(1,3-dithian-2-yl)-dimethylsilane has a molecular weight of 234.51 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3-dithian-2-yl)-dimethylsilane is sourced from PubChem (CID 552599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).