bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane

C18H40O6S2Si — CID 173380042

IUPACbis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane
SMILESCCOCC(OCC)OSCCC[SiH2]CCCSOC(COCC)OCC
InChIInChI=1S/C18H40O6S2Si/c1-5-19-15-17(21-7-3)23-25-11-9-13-27-14-10-12-26-24-18(22-8-4)16-20-6-2/h17-18H,5-16,27H2,1-4H3
InChIKeyVGCXUJYEVIJQNJ-UHFFFAOYSA-N
MW444.73 g/mol
LogP3.90
Rot. Bonds22

About bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane

bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane (PubChem CID 173380042) has the molecular formula C18H40O6S2Si and a molecular weight of 444.73 g/mol. Its IUPAC name is bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane.

Molecular Properties

Compound Namebis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane
PubChem CID173380042
Molecular FormulaC18H40O6S2Si
Molecular Weight444.73 g/mol
Exact Mass444.20
IUPAC Namebis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane
SMILESCCOCC(OCC)OSCCC[SiH2]CCCSOC(COCC)OCC
InChIInChI=1S/C18H40O6S2Si/c1-5-19-15-17(21-7-3)23-25-11-9-13-27-14-10-12-26-24-18(22-8-4)16-20-6-2/h17-18H,5-16,27H2,1-4H3
InChIKeyVGCXUJYEVIJQNJ-UHFFFAOYSA-N
XLogP3.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.73
LogP ≤ 53.90
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane?
The IUPAC name of bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane (CID 173380042) is bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane.
What is the SMILES notation for bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane?
The canonical SMILES for bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane is CCOCC(OCC)OSCCC[SiH2]CCCSOC(COCC)OCC.
What is the InChIKey of bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane?
The InChIKey is VGCXUJYEVIJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O6S2Si/c1-5-19-15-17(21-7-3)23-25-11-9-13-27-14-10-12-26-24-18(22-8-4)16-20-6-2/h17-18H,5-16,27H2,1-4H3.
What are the key properties of bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane?
bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane has a molecular weight of 444.73 g/mol, XLogP of 3.90, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(1,2-diethoxyethoxysulfanyl)propyl]silane is sourced from PubChem (CID 173380042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).