[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane

C30H68O6S2Si2Sn — CID 175914839

IUPAC[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane
SMILESCCCC[Sn](CCCC)(SCC(C)(C)C[Si](OCC)(OCC)OCC)SCC(C)(C)C[Si](OCC)(OCC)OCC
InChIInChI=1S/2C11H26O3SSi.2C4H9.Sn/c2*1-6-12-16(13-7-2,14-8-3)10-11(4,5)9-15;2*1-3-4-2;/h2*15H,6-10H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyJSHOIIPCKVFSTD-UHFFFAOYSA-L
MW763.88 g/mol
LogP9.64
Rot. Bonds28

About [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane

[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane (PubChem CID 175914839) has the molecular formula C30H68O6S2Si2Sn and a molecular weight of 763.88 g/mol. Its IUPAC name is [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane.

Molecular Properties

Compound Name[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane
PubChem CID175914839
Molecular FormulaC30H68O6S2Si2Sn
Molecular Weight763.88 g/mol
Exact Mass764.30
IUPAC Name[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane
SMILESCCCC[Sn](CCCC)(SCC(C)(C)C[Si](OCC)(OCC)OCC)SCC(C)(C)C[Si](OCC)(OCC)OCC
InChIInChI=1S/2C11H26O3SSi.2C4H9.Sn/c2*1-6-12-16(13-7-2,14-8-3)10-11(4,5)9-15;2*1-3-4-2;/h2*15H,6-10H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyJSHOIIPCKVFSTD-UHFFFAOYSA-L
XLogP9.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.88
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane
CID 175914810
triethoxy(2,2,4-trimethylpentyl)silane
CID 21480871
bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane
CID 175914838
butyl(triethoxy)silane;tert-butyl(triethoxy)silane
CID 175188929
3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793
[dibutyl(triethoxysilyloxy)stannyl] triethyl silicate
CID 16684289
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(henicosyl)silane
CID 141362894
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
silane;triethoxy(tetradecyl)silane
CID 161365398

Frequently Asked Questions

What is the IUPAC name of [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane?
The IUPAC name of [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane (CID 175914839) is [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane.
What is the SMILES notation for [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane?
The canonical SMILES for [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane is CCCC[Sn](CCCC)(SCC(C)(C)C[Si](OCC)(OCC)OCC)SCC(C)(C)C[Si](OCC)(OCC)OCC.
What is the InChIKey of [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane?
The InChIKey is JSHOIIPCKVFSTD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H26O3SSi.2C4H9.Sn/c2*1-6-12-16(13-7-2,14-8-3)10-11(4,5)9-15;2*1-3-4-2;/h2*15H,6-10H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane?
[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane has a molecular weight of 763.88 g/mol, XLogP of 9.64, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane is sourced from PubChem (CID 175914839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).