diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane

C16H38O4S3Si2 — CID 154121374

IUPACdiethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
SMILESCCOC(OCC)[SiH2]CCCSSSCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C16H38O4S3Si2/c1-5-17-15(18-6-2)24-13-9-11-21-23-22-12-10-14-25-16(19-7-3)20-8-4/h15-16H,5-14,24-25H2,1-4H3
InChIKeyQYGBZYJWOYRYDJ-UHFFFAOYSA-N
MW446.85 g/mol
LogP3.68
Rot. Bonds20

About diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane

diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane (PubChem CID 154121374) has the molecular formula C16H38O4S3Si2 and a molecular weight of 446.85 g/mol. Its IUPAC name is diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane.

Molecular Properties

Compound Namediethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
PubChem CID154121374
Molecular FormulaC16H38O4S3Si2
Molecular Weight446.85 g/mol
Exact Mass446.15
IUPAC Namediethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
SMILESCCOC(OCC)[SiH2]CCCSSSCCC[SiH2]C(OCC)OCC
InChIInChI=1S/C16H38O4S3Si2/c1-5-17-15(18-6-2)24-13-9-11-21-23-22-12-10-14-25-16(19-7-3)20-8-4/h15-16H,5-14,24-25H2,1-4H3
InChIKeyQYGBZYJWOYRYDJ-UHFFFAOYSA-N
XLogP3.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The IUPAC name of diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane (CID 154121374) is diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane.
What is the SMILES notation for diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The canonical SMILES for diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane is CCOC(OCC)[SiH2]CCCSSSCCC[SiH2]C(OCC)OCC.
What is the InChIKey of diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
The InChIKey is QYGBZYJWOYRYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4S3Si2/c1-5-17-15(18-6-2)24-13-9-11-21-23-22-12-10-14-25-16(19-7-3)20-8-4/h15-16H,5-14,24-25H2,1-4H3.
What are the key properties of diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane?
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane has a molecular weight of 446.85 g/mol, XLogP of 3.68, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane is sourced from PubChem (CID 154121374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).