[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane

C24H56O6S2Si2Sn — CID 175914810

IUPAC[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane
SMILESCCCC[Sn](CCCC)(SCC(C)(C)C[Si](OC)(OC)OC)SCC(C)(C)C[Si](OC)(OC)OC
InChIInChI=1S/2C8H20O3SSi.2C4H9.Sn/c2*1-8(2,6-12)7-13(9-3,10-4)11-5;2*1-3-4-2;/h2*12H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyKHNVUPZLXGKSIL-UHFFFAOYSA-L
MW679.72 g/mol
LogP7.30
Rot. Bonds22

About [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane

[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane (PubChem CID 175914810) has the molecular formula C24H56O6S2Si2Sn and a molecular weight of 679.72 g/mol. Its IUPAC name is [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane.

Molecular Properties

Compound Name[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane
PubChem CID175914810
Molecular FormulaC24H56O6S2Si2Sn
Molecular Weight679.72 g/mol
Exact Mass680.21
IUPAC Name[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane
SMILESCCCC[Sn](CCCC)(SCC(C)(C)C[Si](OC)(OC)OC)SCC(C)(C)C[Si](OC)(OC)OC
InChIInChI=1S/2C8H20O3SSi.2C4H9.Sn/c2*1-8(2,6-12)7-13(9-3,10-4)11-5;2*1-3-4-2;/h2*12H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyKHNVUPZLXGKSIL-UHFFFAOYSA-L
XLogP7.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.72
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-[dibutyl-(2,2-dimethyl-3-triethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-triethoxysilane
CID 175914839
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane
CID 18454140
(3-butyl-3-fluoroheptyl)-trimethoxysilane
CID 58825593
hexacosyl(trimethoxy)silane
CID 150262252
azane;trimethoxy(pentyl)silane
CID 19608931
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
dibutyl-methoxy-methylstannane
CID 59781600
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
bis[(2,2-dimethyl-3-tripropoxysilylpropyl)sulfanyl]-dimethylsilane
CID 175914838

Frequently Asked Questions

What is the IUPAC name of [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane?
The IUPAC name of [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane (CID 175914810) is [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane.
What is the SMILES notation for [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane?
The canonical SMILES for [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane is CCCC[Sn](CCCC)(SCC(C)(C)C[Si](OC)(OC)OC)SCC(C)(C)C[Si](OC)(OC)OC.
What is the InChIKey of [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane?
The InChIKey is KHNVUPZLXGKSIL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H20O3SSi.2C4H9.Sn/c2*1-8(2,6-12)7-13(9-3,10-4)11-5;2*1-3-4-2;/h2*12H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane?
[3-[dibutyl-(2,2-dimethyl-3-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane has a molecular weight of 679.72 g/mol, XLogP of 7.30, 22 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-trimethoxysilylpropyl)sulfanylstannyl]sulfanyl-2,2-dimethylpropyl]-trimethoxysilane is sourced from PubChem (CID 175914810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).