3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane

C20H48O6S2Si2Sn — CID 175914772

IUPAC3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
SMILESCCO[Si](CCCS[Sn](C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/2C9H22O3SSi.2CH3.Sn/c2*1-4-10-14(11-5-2,12-6-3)9-7-8-13;;;/h2*13H,4-9H2,1-3H3;2*1H3;/q;;;;+2/p-2
InChIKeyGPJDGROUBQEVKL-UHFFFAOYSA-L
MW623.62 g/mol
LogP6.03
Rot. Bonds22

About 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane

3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane (PubChem CID 175914772) has the molecular formula C20H48O6S2Si2Sn and a molecular weight of 623.62 g/mol. Its IUPAC name is 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane.

Molecular Properties

Compound Name3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
PubChem CID175914772
Molecular FormulaC20H48O6S2Si2Sn
Molecular Weight623.62 g/mol
Exact Mass624.15
IUPAC Name3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
SMILESCCO[Si](CCCS[Sn](C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/2C9H22O3SSi.2CH3.Sn/c2*1-4-10-14(11-5-2,12-6-3)9-7-8-13;;;/h2*13H,4-9H2,1-3H3;2*1H3;/q;;;;+2/p-2
InChIKeyGPJDGROUBQEVKL-UHFFFAOYSA-L
XLogP6.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.62
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
triethoxy-[3-[silyl(3-triethoxysilylpropyl)silyl]propyl]silane
CID 162102309
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane
CID 3021675
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(henicosyl)silane
CID 141362894
triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
CID 174845742
S-(3-triethoxysilylpropyl) pentanethioate
CID 86045286

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane?
The IUPAC name of 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane (CID 175914772) is 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane.
What is the SMILES notation for 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane?
The canonical SMILES for 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane is CCO[Si](CCCS[Sn](C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane?
The InChIKey is GPJDGROUBQEVKL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H22O3SSi.2CH3.Sn/c2*1-4-10-14(11-5-2,12-6-3)9-7-8-13;;;/h2*13H,4-9H2,1-3H3;2*1H3;/q;;;;+2/p-2.
What are the key properties of 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane?
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane has a molecular weight of 623.62 g/mol, XLogP of 6.03, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane is sourced from PubChem (CID 175914772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).