tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane

C26H56O4S2Si2 — CID 15686520

IUPACtributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane
SMILESCCCC[Si](CCCC)(CCCC)C1S(=O)(=O)C([Si](CCCC)(CCCC)CCCC)S1(=O)=O
InChIInChI=1S/C26H56O4S2Si2/c1-7-13-19-33(20-14-8-2,21-15-9-3)25-31(27,28)26(32(25,29)30)34(22-16-10-4,23-17-11-5)24-18-12-6/h25-26H,7-24H2,1-6H3
InChIKeyAZEZBYNTYJCZBV-UHFFFAOYSA-N
MW553.04 g/mol
LogP8.26
Rot. Bonds20

About tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane

tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane (PubChem CID 15686520) has the molecular formula C26H56O4S2Si2 and a molecular weight of 553.04 g/mol. Its IUPAC name is tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane.

Molecular Properties

Compound Nametributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane
PubChem CID15686520
Molecular FormulaC26H56O4S2Si2
Molecular Weight553.04 g/mol
Exact Mass552.32
IUPAC Nametributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane
SMILESCCCC[Si](CCCC)(CCCC)C1S(=O)(=O)C([Si](CCCC)(CCCC)CCCC)S1(=O)=O
InChIInChI=1S/C26H56O4S2Si2/c1-7-13-19-33(20-14-8-2,21-15-9-3)25-31(27,28)26(32(25,29)30)34(22-16-10-4,23-17-11-5)24-18-12-6/h25-26H,7-24H2,1-6H3
InChIKeyAZEZBYNTYJCZBV-UHFFFAOYSA-N
XLogP8.26
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.04
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tributyl(cyclopenta-2,4-dien-1-yl)silane
CID 12869323
dibutyl(diiodo)silane
CID 19755165
N-[dibutyl(methyl)silyl]-N-ethylethanamine
CID 87363603
butyl-dihexyl-octylsilane
CID 168803297
dibromo-butyl-methylsilane
CID 140744808
(2Z,5Z,8Z,11Z)-1,1,4,4,7,7,10,10-octabutyl-1,4,7,10-tetragermacyclododeca-2,5,8,11-tetraene
CID 102397553
dibutyl-chloro-[4-[dibutyl(chloro)silyl]butyl]silane
CID 87144873
pentakis(butan-1-ol);vanadium
CID 14228635
dimethyl-pentyl-sulfanylsilane
CID 87251092
dibutyl-heptyl-methylsilane
CID 168803311
trifluoro(tridecyl)silane
CID 537319
tributyl(methylsulfanyl)silane
CID 139823750

Frequently Asked Questions

What is the IUPAC name of tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane?
The IUPAC name of tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane (CID 15686520) is tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane.
What is the SMILES notation for tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane?
The canonical SMILES for tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane is CCCC[Si](CCCC)(CCCC)C1S(=O)(=O)C([Si](CCCC)(CCCC)CCCC)S1(=O)=O.
What is the InChIKey of tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane?
The InChIKey is AZEZBYNTYJCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4S2Si2/c1-7-13-19-33(20-14-8-2,21-15-9-3)25-31(27,28)26(32(25,29)30)34(22-16-10-4,23-17-11-5)24-18-12-6/h25-26H,7-24H2,1-6H3.
What are the key properties of tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane?
tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane has a molecular weight of 553.04 g/mol, XLogP of 8.26, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1,1,3,3-tetraoxo-4-tributylsilyl-1,3-dithietan-2-yl)silane is sourced from PubChem (CID 15686520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).